486	138	830	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	F	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	F(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	F(C[3,5]N[3,5]C[3]C[5])	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1
486	138	846	0:SP3_SP2_SP3	C[3,4]	N[3]	C[4]	4:3:3:1:	4:4:4:	4:3:1:	C[3,4]-4:N[3]-3:C[4]-3:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4]-4:N[4]-3:H-1:	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	C[4](C[3,4]C[3,4]N[3]H)(N[4]C[3,4]C)(H)	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H){1|C<4>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	C[4](C[3,4]C[3,4]N[3]H)(N[4]C[3,4]C)(H){1|C<4>,1|H<1>}	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1
486	138	846	4:SP3_SP2_SP3	C[3,4,5]	N[3,4,4]	C[4,5]	4:3:3:1:	4:4:4:	4:4:1:	C[3,4,5]-4:N[3,4,4]-3:C[4,5]-3:H-1:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	C[4,4,5,6]-4:C[3,4,5]-4:O-1:	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	C[4,5](C[4,4,5,6]C[4,5,6]N[3,4,4]C[6])(C[3,4,5]C[3,4,5]N[3,4,4]H)(O)	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,4,5,6]C[4,5,6]N[3,4,4]C[6])(C[3,4,5]C[3,4,5]N[3,4,4]H)(O){1|C<3>,2|C<4>,3|H<1>}	88.4508	0.000	1	88.4508	0.000	1	88.4508	0.000	1	88.4508	0.000	1	88.4508	0.000	1	88.4508	0.000	1
486	138	863	0:SP3_SP2_SP3	C[3,3]	N[3]	O	6:3:2:1:	6:4:4:	4:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-6:C[3,3]-4:C-4:	C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	O(C[3,3]C[3,3]H[3]N[3])	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	O(C[3,3]C[3,3]H[3]N[3])	127.2940	0.000	1	127.2940	0.000	1	127.2940	0.000	1	128.3460	2.213	2	128.3460	2.213	2	128.3460	2.213	2
486	138	863	0:SP3_SP2_SP3	C[3,3]	N[3]	O	6:3:2:1:	6:4:4:	4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-1:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C[3,3]-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(O)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O(C[3,3]Nb[3,3,6]N[3]O[3])	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(O){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O(C[3,3]Nb[3,3,6]N[3]O[3])	129.3980	0.000	1	129.3980	0.000	1	129.3980	0.000	1	128.3460	2.213	2	128.3460	2.213	2	128.3460	2.213	2
486	138	872	3:SP3_SP2_SP3	C[3]	N[3]	Si[3,5]	4:3:3:1:	4:4:3:	4:3:4:4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	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>}	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>}	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>}	59.8188	0.418	2	59.8188	0.175	2	59.8188	0.175	2	59.8188	0.175	2	59.8188	0.175	2	59.8188	0.175	2
486	138	872	3:SP3_SP3_SP3	C[3,5]	N[3,5]	Si[3,5]	3:4:4:4:	4:3:4:	3:4:4:4:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	C[3,5]-4:C[5,6a]-3:Si[3,5]-4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-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)	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)	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[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>}	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>}	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>}	60.6718	0.605	2	60.6718	0.366	2	60.6718	0.366	2	60.6718	0.366	2	60.6718	0.366	2	59.7953	0.713	6
486	138	872	3:SP3_SP3_SP3	C[3,6]	N[3,6]	Si[3,5]	4:3:4:1:	4:3:4:	4:3:4:4:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	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)	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)	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[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>}	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>}	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>}	59.6011	0.211	2	59.6011	0.045	2	59.6011	0.045	2	59.6011	0.045	2	59.6011	0.045	2	59.7953	0.713	6
486	138	872	3:SP3_SP3_SP3	C[3]	N[3]	Si[3,5]	4:3:3:1:	4:4:3:	4:3:4:4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	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>}	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>}	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>}	59.6648	0.000	1	59.6648	0.000	1	59.6648	0.000	1	59.6648	0.000	1	59.6648	0.000	1	59.7953	0.713	6
486	138	872	3:SP3_SP3_SP3	C[3]	N[3]	Si[3]	4:3:3:3:	4:4:4:	4:3:3:2:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:Si[3]-4:Si-4:	C[3]-4:N[3]-3:C[5]-3:N-2:	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3)	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){2|N<3>,4|C<3>,4|H<1>}	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3){2|N<3>,4|C<3>}	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>}	58.5612	0.000	1	58.5612	0.000	1	58.5612	0.000	1	58.5612	0.000	1	58.5612	0.000	1	59.7953	0.713	6
486	138	880	0:SP3_SP2_SP3	C[3]	N[3]	Si	4:3:3:4:	4:4:3:	4:4:4:4:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C-4:C-4:C-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1
486	138	880	0:SP3_SP3_SP3	C[3,5]	N[3,5]	Si	3:4:4:4:	4:3:4:	4:3:4:1:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	C[3,5]-4:C[5,6a]-3:Si[3,5]-4:	C[3,5]-4:C[6a]-3:C-4: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)	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)	Si(C[3,5]Si[3,5]N[3,5]C[5])(C[6a]C[6a,6a]2)(CC3)(H)	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>}	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>}	Si(C[3,5]Si[3,5]N[3,5]C[5])(C[6a]C[6a,6a]2)(CC3)(H)	110.2180	6.703	2	110.2180	44.935	2	110.2180	44.935	2	110.2180	44.935	2	110.2180	44.935	2	110.2180	44.935	2
486	138	881	3:SP3_SP2_SPD5	C[3]	N[3]	Si[3,4]	5:3:3:1:	5:4:3:	4:3:3:3:3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:N[4]-3:N[4]-3:N-3:	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(NC[6a]2)	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(NC[6a]2){5|C<3>}	61.1334	0.000	1	61.1334	0.000	1	61.1334	0.000	1	61.1334	0.000	1	62.0720	1.762	2	62.0720	1.762	2
486	138	881	3:SP3_SP2_SPD5	C[3]	N[3]	Si[3,4]	5:3:3:1:	5:4:3:	4:3:3:3:4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:N[4]-3:N[4]-3:C-4:	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(CC3)	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(CC3){5|C<3>}	63.0105	0.000	1	63.0105	0.000	1	63.0105	0.000	1	63.0105	0.000	1	62.0720	1.762	2	62.0720	1.762	2
486	138	893	0:SP3_SP2_SP3	C[3,3]	N[3]	O	6:3:2:2:	6:4:4:	4:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-2:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C[3,3]-4:B-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	123.3390	0.000	1	123.3390	0.000	1	123.3390	0.000	1	123.3390	0.000	1	123.8415	0.505	2	120.4206	8.048	7
486	138	893	0:SP3_SP2_SP3	C[3,3]	N[3]	O	7:3:3:2:	7:4:4:	4:4:	Nb[3,3,3x6]-7:N[3,6,6]-3:N[3]-3:O-2:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C[3,3]-4:Si-4:	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi)	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	124.3440	0.000	1	124.3440	0.000	1	124.3440	0.000	1	124.3440	0.000	1	123.8415	0.505	2	120.4206	8.048	7
486	138	893	0:SP3_SP2_SP3	C[3,6]	N[3]	O	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	118.4370	0.000	1	118.4370	0.000	1	119.0522	3.753	5	119.0522	3.753	5	119.0522	3.753	5	120.4206	8.048	7
486	138	893	0:SP3_SP2_SP3	C[3,6]	N[3]	O	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O(C[3,6]C[3,6]N[3]O[6])(CC[6]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CC[6]O)	118.1550	0.000	1	118.1550	0.000	1	119.0522	3.753	5	119.0522	3.753	5	119.0522	3.753	5	120.4206	8.048	7
486	138	893	0:SP3_SP2_SP3	C[3,6]	N[3]	O	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	118.4380	0.000	1	119.5563	6.534	3	119.0522	3.753	5	119.0522	3.753	5	119.0522	3.753	5	120.4206	8.048	7
486	138	893	0:SP3_SP2_SP3	C[3,6]	N[3]	O	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	120.1155	3.345	2	119.5563	6.534	3	119.0522	3.753	5	119.0522	3.753	5	119.0522	3.753	5	120.4206	8.048	7
486	138	893	0:SP3_SP3_SP3	C[3,3]	N[3,6,6]	O	7:3:3:2:	7:4:4:	4:4:	Nb[3,3,3x6]-7:N[3,6,6]-3:N[3]-3:O-2:	Nb[3,3,3x6]-7:C[3,3]-4:C[6,6]-4:	C[3,3]-4:Si-4:	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi)	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH)	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH){1|Si<4>,2|C<3>,3|C<4>}	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	122.3970	0.199	4	122.3970	0.040	4	122.3970	0.040	4	122.3970	0.040	4	122.3970	0.040	4	123.2030	1.059	8
486	138	893	0:SP3_SP3_SP3	C[3,3]	N[3]	O	6:3:2:2:	6:4:4:	4:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-2:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C[3,3]-4:B-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	124.0090	0.700	4	123.2030	1.059	8
486	138	893	0:SP3_SP3_SP3	C[3,3]	N[3]	O	7:3:3:2:	7:4:4:	4:4:	Nb[3,3,3x6]-7:N[3,6,6]-3:N[3]-3:O-2:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C[3,3]-4:Si-4:	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi)	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	O(C[3,3]Nb[3,3,3x6]N[3,6,6]N[3])(SiC3)	124.4187	0.206	3	124.4187	0.042	3	124.4187	0.042	3	124.4187	0.042	3	124.0090	0.700	4	123.2030	1.059	8
486	138	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	57.3323	0.000	1	57.3323	0.000	1	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3
486	138	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHH)	57.2119	0.000	1	57.2119	0.000	1	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3
486	138	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	57.2312	0.000	1	57.2312	0.000	1	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3	57.2585	0.004	3
486	138	902	3:SP3_SP2_SP3	C[3,5]	N[3,5]	C[3]	3:3:4:1:	4:3:3:	4:3:3:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-3:C[5]-3:	C[3,5]-4:N[3,5]-3:C-3:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CHH)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H){1|O<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O){1|C<4>,1|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	58.6000	0.000	1	58.6000	0.000	1	58.6000	0.000	1	58.6000	0.000	1	58.6000	0.000	1	57.8967	0.184	8
486	138	902	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:3:1:1:	4:3:4:	4:3:3:	C[3]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-3:S-4:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]C)(SO3)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCC)	C[3](C[3]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]C)(SO3)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCC)	57.9264	0.048	6	57.9264	0.002	6	57.9264	0.002	6	57.9264	0.002	6	57.7962	0.121	7	57.8967	0.184	8
486	138	902	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	57.0154	0.000	1	57.0154	0.000	1	57.0154	0.000	1	57.0154	0.000	1	57.7962	0.121	7	57.8967	0.184	8
486	138	924	0:SP3_SP-NON_SP3	C[3]	N[3]	Br	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:Br-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	Br(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	Br(C[3]C[3]N[3]C)	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1
486	138	930	0:SP3_SP2_SP2	C[3]	N[3,5]	C	4:3:3:1:	4:4:3:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	115.1873	7.917	6
486	138	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:3:3:3:	4:3:3:	4:2:1:	N[3]-3:N[3]-3:C[6a]-3:C-3:	C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO)	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C(C[3]C[6a]N[3]2)(OC)(O)	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO){2|H<1>,6|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C(C[3]C[6a]N[3]2)(OC)(O)	114.0750	2.294	2	114.0750	5.262	2	114.0750	5.262	2	114.0750	5.262	2	115.8154	6.938	5	115.1873	7.917	6
486	138	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:4:3:1:	3:4:4:	4:3:1:	N[3]-3:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	115.8154	6.938	5	115.1873	7.917	6
486	138	930	0:SP3_SP2_SP2	C[3]	N[3]	C	4:3:3:1:	4:4:3:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N-3:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	115.8154	6.938	5	115.1873	7.917	6
486	138	930	0:SP3_SP2_SP2	C[3]	N[3]	C	4:3:3:4:	4:4:3:	3:4:1:	C[3]-4:N[3]-3:C-3:C-4:	C[3]-4:C[3]-4:C-3:	N[5]-3:C[3]-4:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	115.8154	6.938	5	115.1873	7.917	6
486	138	930	0:SP3_SP2_SP3	C[3,3]	N[3]	C	6:3:2:3:	6:4:4:	4:3:3:	Nb[3,3,6]-6:N[3]-3:O[3]-2:C-3:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(CC[6a]2)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3)	C(C[3,3]Nb[3,3,6]N[3]O[3])(C[6a]C[6a]2)2	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(CC[6a]2){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3){4|C<3>}	C(C[3,3]Nb[3,3,6]N[3]O[3])(C[6a]C[6a]2)2	130.7910	0.231	2	130.7910	0.053	2	130.7910	0.053	2	130.7910	0.053	2	130.7910	0.053	2	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C	3:3:4:3:	4:4:4:	4:2:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:O-2:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	114.6100	3.059	2	114.6100	9.357	2	113.9337	6.051	3	113.9337	6.051	3	116.5029	8.024	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C	3:3:4:3:	4:4:4:	4:2:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:O-2:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	112.5810	0.000	1	112.5810	0.000	1	113.9337	6.051	3	113.9337	6.051	3	116.5029	8.024	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C	4:3:4:3:	4:4:4:	4:2:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[4,5]-4:C[3]-4:C[3,5]-4:	C[3,5]-4:O-2:O-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	C(C[3,5]N[3,5]C[3]C[5])(OC)(O)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	C(C[3,5]N[3,5]C[3]C[5])(OC)(O)	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	116.5029	8.024	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C	4:3:4:3:	4:4:4:	4:3:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:C[6a]-3:O-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	C(C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	C(C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]2)(O)	118.5885	0.104	2	118.5885	0.011	2	118.5885	0.011	2	118.5885	0.011	2	116.5029	8.024	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C	4:4:3:3:	4:4:4:	4:2:1:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:O-2:O-1:	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	C(C[3,5]C[5,6]N[3,5]C[3])(OC)(O)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C(C[3,5]C[5,6]N[3,5]C[3])(OC)(O)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	116.5029	8.024	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,5]	N[3]	C	4:3:4:3:	4:4:1:	4:2:1:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	C(C[3,5]C[3,5]C[5]N[3])(OC)(O)	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	C(C[3,5]C[3,5]C[5]N[3])(OC)(O)	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,6]	N[3,6]	C	4:3:4:3:	4:4:4:	4:2:1:	C[6]-4:N[3,6]-3:C[3]-4:C-3:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:O-2:O-1:	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO)	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH)	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO){2|H<1>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH){2|H<1>,4|C<3>}	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3,6]	N[3]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:O-2:O-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C(C[3,6]C[3,6]C[6]N[3])(OC)(O)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(OC)(O)	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:3:4:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[3]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:4:3:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	C(C[3]C[3,5]N[3,5]H)(OC)(O)	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	C(C[3]C[3,5]N[3,5]H)(OC)(O)	115.0840	0.000	1	115.0840	0.000	1	115.0840	0.000	1	115.0840	0.000	1	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3]-4:C-3:H-1:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	117.6155	22.708	4	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	C(C[3]C[3,5]N[3,5]H)(C[6a]C[6a]2)(O)	119.7630	6.958	2	119.7630	48.413	2	119.7630	48.413	2	117.6155	22.708	4	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,5]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,5]-4:N[3,5]-3:C-3:I-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	C(C[3]C[3,5]N[3,5]I)(C[6a]C[6a]2)(O)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	C(C[3]C[3,5]N[3,5]I)(C[6a]C[6a]2)(O)	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	117.6155	22.708	4	116.2466	15.262	7	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3,6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,6]-4:N[3,6]-3:C-3:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	C(C[3]C[3,6]N[3,6]H)(C[6a]C[6a]2)(O)	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H){1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	C(C[3]C[3,6]N[3,6]H)(C[6a]C[6a]2)(O)	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:3:1:	3:4:4:	4:3:1:	N[3]-3:C[3]-4:C-3:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C-3:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(CCH)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]H)(CCH)(H)	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:3:1:	4:4:3:	4:2:1:	N[3]-3:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:O-2:O-1:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<3>,2|O<1>}	C(C[3]C[3]N[3]H)(OC)(O)	116.5675	6.445	2	116.5675	41.542	2	116.5675	41.542	2	116.5675	41.542	2	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:3:3:	4:4:3:	4:1:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C(C[3]C[6a]C[3]N[3])(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C(C[3]C[6a]C[3]N[3])(H)2	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:3:3:	4:4:3:	4:2:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:S-3:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO)	C(C[3]C[6a]C[3]N[3])(OC)(O)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO){2|C<3>}	C(C[3]C[6a]C[3]N[3])(OC)(O)	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:4:3:	4:4:3:	4:2:1:	N[3]-3:C[3]-4:C-4:C-3:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:O-2:O-1:	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	C(C[3]C[3]N[3]C)(OC)(O)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	C(C[3]C[3]N[3]C)(OC)(O)	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:1:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	C(C[3]C[3]N[3]H)(OC)(O)	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:3:	4:2:1:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	C(C[3]C[3,5]N[3]H)(OC)(O)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	C(C[3]C[3,5]N[3]H)(OC)(O)	118.4695	2.396	2	118.4695	5.743	2	118.4695	5.743	2	118.3383	2.923	3	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:3:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:O-2:H-1:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C(C[3]C[3]N[3]H)(OH)(H)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C(C[3]C[3]N[3]H)(OH)(H)	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	118.3383	2.923	3	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:3:	4:3:1:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(O)	122.5267	1.187	3	122.5267	1.409	3	122.5267	1.409	3	121.6863	3.765	4	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:3:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	C(C[3]C[3]N[3]H)(CCH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	C(C[3]C[3]N[3]H)(CCH)(H)	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	121.6863	3.765	4	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:O-2:O-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C(C[3]C[3]N[3]H)(OC)(O)	116.9610	0.986	2	116.9610	0.972	2	116.9610	0.972	2	119.5630	18.158	6	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C(C[3]C[3]N[3]H)(OC)(O)	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	119.5630	18.158	6	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N-2:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(NN)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]H)(NN)(H)	126.1280	0.000	1	126.1280	0.000	1	126.1280	0.000	1	119.5630	18.158	6	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]H)(OC)(O)	121.7720	0.000	1	121.7720	0.000	1	118.1195	26.682	2	119.5630	18.158	6	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:O-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OC)(O)	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OC)(O)	114.4670	0.000	1	114.4670	0.000	1	118.1195	26.682	2	119.5630	18.158	6	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:Br-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]Br)(C[6a]C[6a]2)(O)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]Br)(C[6a]C[6a]2)(O)	126.7480	0.000	1	126.7480	0.000	1	126.7480	0.000	1	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	123.6040	0.000	1	123.6040	0.000	1	119.9855	26.187	2	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	116.3670	0.000	1	116.3670	0.000	1	119.9855	26.187	2	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6]-3:O-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C(C[3]C[3]N[3]H)(C[6]C[6]2)(O)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C(C[3]C[3]N[3]H)(C[6]C[6]2)(O)	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N-3:O-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(NCH)(O)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(NCH)(O)	116.9665	1.010	4	116.9665	1.021	4	116.9665	1.021	4	118.8587	17.911	9	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:1:	4:4:4:	4:4:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC3)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]H)(CC3)(O)	115.5550	0.000	1	115.5550	0.000	1	115.5550	0.000	1	115.5550	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:3:	4:4:1:	4:2:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)	C(C[3]C[3]N[3]C)(OC)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H){2|C<3>}	C(C[3]C[3]N[3]C)(OC)(O)	116.4704	0.860	8	116.4704	0.739	8	116.4704	0.739	8	116.4704	0.739	8	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:3:	4:4:3:	4:2:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:O-2:O-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C(C[3]C[3]N[3]C)(OC)(O)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C(C[3]C[3]N[3]C)(OC)(O)	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:3:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C-3:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:3:	4:4:4:	4:2:1:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	C(C[3]C[6a]C[3]N[3])(OC)(O)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	C(C[3]C[6a]C[3]N[3])(OC)(O)	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	120.4767	14.779	3	118.4606	10.936	43	118.2988	17.068	63
486	138	930	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:3:	4:4:4:	4:2:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:O-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(OC)(O)	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(OC)(O)	119.6775	5.072	2	119.6775	25.726	2	119.6775	25.726	2	120.4767	14.779	3	118.4606	10.936	43	118.2988	17.068	63
486	138	944	0:SP3_SP-NON_SP3	C[3]	N[3,5]	I	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C-3:I-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	I(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	I(C[3]C[3,5]N[3,5]C)	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1
486	138	951	0:SP3_SP-NON_SP2	C[3,3]	N[3]	H	7:4:3:1:	7:4:3:	4:	Nb[3x3]-7:C[3,3]-4:N[3]-3:H-1:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	C[3,3]-4:	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H)	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2)	H(C[3,3]Nb[3x3]C[3,3]N[3])	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H){3|C<3>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	H(C[3,3]Nb[3x3]C[3,3]N[3])	115.3785	0.381	2	115.3785	0.145	2	115.3785	0.145	2	115.3785	0.145	2	115.3785	0.145	2	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,5]	N[3,5]	H	3:4:4:1:	4:4:3:	4:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,5]	N[3]	H	6:3:3:1:	6:4:3:	4:	Nb[3,5,6,6]-6:N[3]-3:C[5,6a]-3:H-1:	Nb[3,5,6,6]-6:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	H(C[3,5]Nb[3,5,6,6]C[5,6a]N[3])	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,8|C<3>}	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	H(C[3,5]Nb[3,5,6,6]C[5,6a]N[3])	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	114.8140	0.017	2	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,5]	N[3]	H	8:3:3:1:	8:4:3:	4:	Nb[3x3,5,6,6]-8:N[3]-3:C[5,6a]-3:H-1:	Nb[3x3,5,6,6]-8:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	H(C[3,5]Nb[3x3,5,6,6]C[5,6a]N[3])	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,3|C<4>,8|C<3>}	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,3|C<4>,8|C<3>}	H(C[3,5]Nb[3x3,5,6,6]C[5,6a]N[3])	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.8140	0.017	2	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,6]	N[3,6]	H	3:4:4:1:	4:4:3:	4:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3,6]N[3,6]C[3]C[6])	114.6840	0.000	1	114.6840	0.000	1	115.4467	0.470	3	115.4467	0.470	3	115.4510	0.313	4	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,6]	N[3,6]	H	3:4:4:1:	4:4:3:	4:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3,6]N[3,6]C[3]C[6])	115.6450	0.000	1	115.8280	0.067	2	115.4467	0.470	3	115.4467	0.470	3	115.4510	0.313	4	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,6]	N[3,6]	H	3:4:4:1:	4:4:3:	4:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3,6]N[3,6]C[3]C[6])	116.0110	0.000	1	115.8280	0.067	2	115.4467	0.470	3	115.4467	0.470	3	115.4510	0.313	4	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,6]	N[3,6]	H	4:3:4:1:	4:4:3:	4:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,6]-4:	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	H(C[3,6]C[3,3]N[3,6]C[6])	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	H(C[3,6]C[3,3]N[3,6]C[6])	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.4510	0.313	4	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3,6]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.5935	2.194	2	116.5935	4.814	2	116.5935	4.814	2	116.5935	4.814	2	116.5935	4.814	2	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3,5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	H(C[3]C[3,5]N[3,5]C)	118.1110	0.000	1	118.1110	0.000	1	118.1110	0.000	1	118.1110	0.000	1	118.1110	0.000	1	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3,6]	H	4:3:1:1:	4:4:3:	4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	H(C[3]C[3,6]N[3,6]H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3]C[3,6]N[3,6]H)	117.8252	0.055	4	117.8252	0.003	4	117.8252	0.003	4	117.8252	0.003	4	117.2824	1.476	5	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3]C[3,6]N[3,6]C)	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	117.2824	1.476	5	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:3:4:1:	4:3:4:	4:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(C[3]C[3]N[3]C)	116.0570	0.279	2	116.0570	0.078	2	116.1877	0.090	3	116.1877	0.090	3	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:3:4:1:	4:3:4:	4:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	H(C[3]C[3]N[3]C)	116.4490	0.000	1	116.4490	0.000	1	116.1877	0.090	3	116.1877	0.090	3	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:4:3:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	H(C[3]C[3]N[3]C)	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.8890	0.000	1	114.8890	0.000	1	115.4560	0.643	2	115.4560	0.643	2	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	116.0230	0.000	1	116.0230	0.000	1	115.4560	0.643	2	115.4560	0.643	2	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:4:4:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	H(C[3]C[3]N[3]C)	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	H(C[3]C[3]N[3]H)	117.8762	0.088	4	117.8762	0.008	4	117.8762	0.008	4	117.8762	0.008	4	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:1:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)2(H)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(H){4|C<3>}	H(C[3]C[6a]C[3]N[3])	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	H(C[3]C[3]N[3]C)	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	H(C[3]C[6a]C[3]N[3])	114.4440	0.000	1	114.4440	0.000	1	114.1022	0.506	4	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	114.5620	0.000	1	114.4615	0.020	2	114.1022	0.506	4	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	114.3610	0.000	1	114.4615	0.020	2	114.1022	0.506	4	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	113.0420	0.000	1	113.0420	0.000	1	114.1022	0.506	4	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	H(C[3]Si[3,5]C[6a]N[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>}	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>}	H(C[3]Si[3,5]C[6a]N[3])	112.7375	0.268	2	112.7375	0.072	2	112.7375	0.072	2	114.1124	2.193	7	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	5:3:3:1:	5:4:3:	4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	H(C[3]Si[3,4]C[6a]N[3])	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	H(C[3]Si[3,4]C[6a]N[3])	115.2730	0.000	1	115.2730	0.000	1	113.1395	9.104	2	113.1395	9.104	2	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	5:3:3:1:	5:4:3:	4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	H(C[3]Si[3,4]C[6a]N[3])	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	H(C[3]Si[3,4]C[6a]N[3])	111.0060	0.000	1	111.0060	0.000	1	113.1395	9.104	2	113.1395	9.104	2	115.3546	3.655	21	115.8000	3.096	38
486	138	951	0:SP3_SP-NON_SP3	C[3,4,5]	N[3,4,4]	H	4:3:3:1:	4:4:4:	4:	C[3,4,5]-4:N[3,4,4]-3:C[4,5]-3:H-1:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	C[3,4,5]-4:	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	H(C[3,4,5]C[3,4,5]N[3,4,4]C[4,5])	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3,4,5]C[3,4,5]N[3,4,4]C[4,5])	126.1560	0.000	1	126.1560	0.000	1	126.1560	0.000	1	126.1560	0.000	1	126.1560	0.000	1	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,4]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3,4]-4:N[3]-3:C[4]-3:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4]-4:	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	H(C[3,4]C[3,4]C[4]N[3])	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H){1|C<4>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	H(C[3,4]C[3,4]C[4]N[3])	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	111.2670	98.842	2	111.2670	98.842	2	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,4]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4]-4:	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	H(C[3,4]C[3,4]N[3]N[4])	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	H(C[3,4]C[3,4]N[3]N[4])	104.2370	0.000	1	104.2370	0.000	1	104.2370	0.000	1	111.2670	98.842	2	111.2670	98.842	2	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5,6]	N[3,5]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6]-4:	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	H(C[3,5,6]C[3,6]C[5,6]N[3,5])	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	H(C[3,5,6]C[3,6]C[5,6]N[3,5])	120.0285	0.056	2	120.0285	0.003	2	120.0285	0.003	2	120.0285	0.003	2	120.0285	0.003	2	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5,6]	N[3,6]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5,6]-4:	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	H(C[3,5,6]C[3,5]C[5,6]N[3,6])	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[3,5,6]C[3,5]C[5,6]N[3,6])	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,5,6]-4:C[5,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H){1|C<4>,5|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	120.1825	0.421	2	120.1825	0.177	2	120.1825	0.177	2	120.5830	0.337	6	120.5830	0.337	6	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	120.2915	0.237	2	120.2915	0.056	2	120.7832	0.342	4	120.5830	0.337	6	120.5830	0.337	6	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[3,5,6]C[3,5,6]C[5,5,6]N[3])	121.2750	0.041	2	121.2750	0.002	2	120.7832	0.342	4	120.5830	0.337	6	120.5830	0.337	6	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	3:3:4:1:	4:3:3:	4:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-3:C[5]-3:	C[3,5]-4:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H){1|O<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O){1|C<4>,1|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	H(C[3,5]C[5,6a]N[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	H(C[3,5]C[5,6a]N[3,5]C[3])	114.5670	0.000	1	114.5670	0.000	1	114.5670	0.000	1	114.5670	0.000	1	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	3:4:4:1:	4:4:3:	4:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	H(C[3,5]N[3,5]C[3]C[5])	120.8805	0.589	4	120.8805	0.347	4	120.8805	0.347	4	120.8805	0.347	4	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	H(C[3,5]N[3,5]C[3]C[5])	118.6390	0.000	1	118.6390	0.000	1	119.0510	0.339	2	119.0510	0.339	2	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	119.4630	0.000	1	119.4630	0.000	1	119.0510	0.339	2	119.0510	0.339	2	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[3,5]-4:	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	H(C[3,5]C[5,5]N[3,5]C[3])	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[3,5]C[5,5]N[3,5]C[3])	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	118.8960	4.676	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,6]	H	4:3:3:1:	4:4:4:	4:	C[3,5,6]-4:N[3,6]-3:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	H(C[3,5]C[3,5,6]N[3,6]C[5])	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[3,5]C[3,5,6]N[3,6]C[5])	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[3,5]C[3,5]C[5]N[3])	119.5285	0.363	2	119.5285	0.132	2	119.5285	0.132	2	119.5285	0.132	2	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	129.3100	62.567	3	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|O<2>,4|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	133.8765	0.131	2	133.8765	0.017	2	133.8765	0.017	2	129.3100	62.567	3	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	120.6838	0.202	4	120.6838	0.041	4	118.7673	13.552	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	118.3670	0.000	1	114.9345	23.564	2	118.7673	13.552	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	111.5020	0.000	1	114.9345	23.564	2	118.7673	13.552	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	H(C[3,5]C[3,5]C[5]N[3])	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|Si<4>,4|H<1>}	H(C[3,5]C[3,5]C[5]N[3])	117.0235	1.929	6	117.0235	3.722	6	117.0235	3.722	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	H(C[3,5]C[3,5]C[5,5]N[3])	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5,5]N[3])	120.3455	0.155	4	120.3455	0.024	4	118.7063	11.147	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(C[3,5]C[3,5]C[5,5]N[3])	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5,5]N[3])	112.0060	0.000	1	115.4280	23.420	2	118.7063	11.147	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,5]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(C[3,5]C[3,5]C[5,5]N[3])	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[5,5]N[3])	118.8500	0.000	1	115.4280	23.420	2	118.7063	11.147	6	118.1657	9.050	18	119.8230	26.199	24	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6,6]	N[3,6]	H	4:3:4:1:	4:4:3:	4:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,6,6]-4:	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	H(C[3,6,6]C[3,3x6]C[6,6]N[3,6])	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	H(C[3,6,6]C[3,3x6]C[6,6]N[3,6])	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[3,6]-4:	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	H(C[3,6]C[3,5,6]N[3,5]C[6])	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[3,6]C[3,5,6]N[3,5]C[6])	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	115.5323	3.901	3	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,5]	H	4:3:4:1:	4:4:3:	4:	C[3,5,6]-4:N[3,5]-3:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6]-4:	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	H(C[3,6]C[3,5,6]N[3,5]C[6])	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	H(C[3,6]C[3,5,6]N[3,5]C[6])	114.4000	0.330	2	114.4000	0.109	2	114.4000	0.109	2	114.4000	0.109	2	115.5323	3.901	3	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	3:3:2:1:	4:4:2:	4:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])	H(C[3,6]C[6,6a]N[3,6]O[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6]){1|H<1>,3|C<3>}	H(C[3,6]C[6,6a]N[3,6]O[3])	112.3310	0.761	2	112.3310	0.579	2	112.3310	0.579	2	112.3310	0.579	2	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	H(C[3,6]C[6,6a]N[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	H(C[3,6]C[6,6a]N[3,6]C[3])	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	3:4:4:1:	4:4:3:	4:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3,6]N[3,6]C[3]C[6])	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	4:3:4:1:	4:3:4:	4:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	C[3,6]-4:	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)	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)	H(C[3,6]Si[3,5]C[3,6]N[3,6])	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>}	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>}	H(C[3,6]Si[3,5]C[3,6]N[3,6])	115.3215	0.169	2	115.3215	0.029	2	115.3215	0.029	2	115.3215	0.029	2	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	4:3:4:1:	4:4:4:	4:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	H(C[3,6]C[3,6,6]N[3,6]C[6])	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	H(C[3,6]C[3,6,6]N[3,6]C[6])	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	115.4308	0.732	4	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3,6]N[3,6]C[3]C[6])	114.9770	0.119	2	114.9770	0.014	2	114.9770	0.014	2	115.4308	0.732	4	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH)	H(C[3,6]N[3,6]C[3]C[6])	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H){1|C<4>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[3,6]N[3,6]C[3]C[6])	115.0600	0.000	1	115.0600	0.000	1	115.0600	0.000	1	115.4308	0.732	4	114.6722	1.944	10	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[6,6a]C[3,6]N[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(C[3,6]C[6,6a]C[3,6]N[3])	136.1040	0.000	1	121.5670	93.957	4	121.5670	93.957	4	121.5670	93.957	4	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[6,6a]C[3,6]N[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[3,6]C[6,6a]C[3,6]N[3])	116.7240	0.324	2	121.5670	93.957	4	121.5670	93.957	4	121.5670	93.957	4	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[6,6a]C[3,6]N[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[3,6]C[6,6a]C[3,6]N[3])	116.7160	0.000	1	121.5670	93.957	4	121.5670	93.957	4	121.5670	93.957	4	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:2:1:	4:4:1:	4:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	H(C[3,6]C[3,6]N[3]O[6])	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	H(C[3,6]C[3,6]N[3]O[6])	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.6880	0.000	1	116.6880	0.000	1	116.6880	0.000	1	116.6880	0.000	1	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	117.2580	0.000	1	117.2580	0.000	1	117.2580	0.000	1	117.2580	0.000	1	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.9695	0.326	2	116.9695	0.106	2	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(C[3,6]C[3,6]C[6]N[3])	135.4110	0.000	1	135.4110	0.000	1	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	113.7230	0.000	1	113.7230	0.000	1	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	H(C[3,6]C[3,6]C[6]N[3])	115.0870	0.000	1	115.0870	0.000	1	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.7795	0.032	2	115.5057	0.225	3	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	114.9580	0.000	1	115.5057	0.225	3	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.0970	0.102	2	116.1175	0.034	4	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.1380	0.300	2	116.1175	0.034	4	117.4289	32.876	12	117.3160	30.302	13	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:1:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H){1|C<4>,2|H<1>,2|O<2>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	H(C[3,6]C[3,6]C[6]N[3])	117.6927	2.377	4	117.6927	5.649	4	117.2050	5.426	5	117.4887	3.491	9	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:1:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.2540	0.000	1	115.2540	0.000	1	117.2050	5.426	5	117.4887	3.491	9	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	H(C[3,6]C[3,6]C[5,6]N[3])	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	H(C[3,6]C[3,6]C[5,6]N[3])	117.8432	1.332	4	117.8432	1.773	4	117.8432	1.773	4	117.4887	3.491	9	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[3,6]C[3,6]C[6]N[3])	116.4320	0.000	1	116.4320	0.000	1	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.0460	0.433	3	114.8690	0.165	5	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	114.6035	0.224	2	114.8690	0.165	5	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.6975	0.009	2	115.6975	0.000	2	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.0710	0.085	2	116.0710	0.007	2	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.1793	0.365	3	116.0173	0.091	8	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	115.9200	0.248	5	116.0173	0.091	8	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.4570	0.000	1	116.2375	0.096	2	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3,6]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	H(C[3,6]C[3,6]C[6]N[3])	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	H(C[3,6]C[3,6]C[6]N[3])	116.0180	0.000	1	116.2375	0.096	2	115.7464	0.369	20	115.7464	0.369	20	116.9727	16.472	50	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	3:4:3:1:	4:4:4:	4:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[4,5]-4:C[3]-4:C[3,5]-4:	C[3]-4:	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	114.7070	0.000	1	114.7070	0.000	1	114.7070	0.000	1	114.7070	0.000	1	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	H(C[3]C[3,5]N[3,5]H)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[3]C[3,5]N[3,5]H)	117.8265	0.062	2	117.7856	0.002	5	117.7856	0.002	5	117.7856	0.002	5	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	H(C[3]C[3,5]N[3,5]H)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|N<3>,2|H<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	H(C[3]C[3,5]N[3,5]H)	117.7583	0.012	3	117.7856	0.002	5	117.7856	0.002	5	117.7856	0.002	5	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:3:4:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[3]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	H(C[3]C[3,5]N[3,5]C)	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	H(C[3]C[3,5]N[3,5]C)	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	H(C[3]C[3,5]N[3,5]C)	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	H(C[3]C[3,5]N[3,5]C)	115.6300	0.000	1	115.6300	0.000	1	115.6300	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	H(C[3]C[3,5]N[3,5]C)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	H(C[3]C[3,5]N[3,5]C)	114.0055	1.660	2	114.0055	2.754	2	114.0055	2.754	2	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3]-4:	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.6080	0.000	1	115.6080	0.000	1	115.6080	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.9830	0.000	1	115.9830	0.000	1	116.2503	1.464	9	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.2215	0.299	2	115.2215	0.089	2	116.2503	1.464	9	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	116.2880	0.000	1	116.2880	0.000	1	116.2503	1.464	9	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	116.2950	0.000	1	116.2950	0.000	1	116.2503	1.464	9	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	116.8110	1.651	4	116.8110	2.725	4	116.2503	1.464	9	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[3]-4:	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	H(C[3]C[3,5]N[3,5]C[6a])	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	H(C[3]C[3,5]N[3,5]C[6a])	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	115.7325	1.479	17	116.2329	1.899	25	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[3]-4:	C[3]-4:	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	H(C[3]C[3,6]N[3,6]H)	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2{1|N<3>,5|C<3>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	H(C[3]C[3,6]N[3,6]H)	117.7600	0.038	2	117.7600	0.001	2	117.7600	0.001	2	117.7600	0.001	2	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC)	H(C[3]C[3,6]N[3,6]H)	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[3,6]N[3,6]H)	117.7295	0.006	2	117.7295	0.000	2	117.7295	0.000	2	117.7810	0.006	5	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH)	H(C[3]C[3,6]N[3,6]H)	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2{2|H<1>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH){2|H<1>,4|C<3>}	H(C[3]C[3,6]N[3,6]H)	117.9070	0.000	1	117.9070	0.000	1	117.8153	0.007	3	117.7810	0.006	5	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH)	H(C[3]C[3,6]N[3,6]H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[3]C[3,6]N[3,6]H)	117.7695	0.047	2	117.7695	0.002	2	117.8153	0.007	3	117.7810	0.006	5	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:3:1:	4:4:4:	4:	C[3,6]-4:N[3,6]-3:C-3:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[3]-4:	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H){1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	H(C[3]C[3,6]N[3,6]C)	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	115.3563	2.535	3	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:3:1:	4:4:4:	4:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	H(C[3]C[3,6]N[3,6]C[6a])	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3]C[3,6]N[3,6]C[6a])	114.4440	0.274	2	114.4440	0.075	2	114.4440	0.075	2	115.3563	2.535	3	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3]C[3,6]N[3,6]C)	115.8150	0.000	1	115.8150	0.000	1	115.1490	0.887	2	115.1490	0.887	2	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	H(C[3]C[3,6]N[3,6]C)	114.4830	0.000	1	114.4830	0.000	1	115.1490	0.887	2	115.1490	0.887	2	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:4:1:	4:4:4:	4:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6]-4:C[3]-4:Si[6]-4:	C[3]-4:	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	H(C[3]C[3,6,6]N[3,6]C)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[3,6,6]N[3,6]C)	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	116.7542	2.030	13	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:1:1:	4:3:4:	4:	C[3]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-3:S-4:	C[3]-4:	C[3](C[3]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]C)(SO3)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]C)(SO3)	H(C[3]C[3]N[3]H)	116.8678	2.071	12	116.8678	4.290	12	116.8678	4.290	12	117.0446	3.246	16	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:1:1:	4:3:4:	4:	N[3]-3:N[3]-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:	C[3]-4:	C[3](N[3]N[3]C)2(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	H(C[3]N[3]2H)	C[3](N[3]N[3]C)2(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	H(C[3]N[3]2H)	117.5752	0.025	4	117.5752	0.001	4	117.5752	0.001	4	117.0446	3.246	16	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:2:1:	4:2:4:	4:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:	C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)	H(C[3]C[6a]N[3]O[3])	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3){2|C<3>}	H(C[3]C[6a]N[3]O[3])	115.5652	0.020	4	115.5652	0.000	4	115.5652	0.000	4	115.5652	0.000	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:2:1:	4:4:2:	4:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	H(C[3]C[6a]N[3]O[3])	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	H(C[3]C[6a]N[3]O[3])	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:4:1:	4:3:4:	4:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(C[3]C[3]N[3]C)	116.6250	0.000	1	116.6250	0.000	1	116.6250	0.000	1	114.7537	3.836	3	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:4:1:	4:3:4:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	H(C[3]C[6a]C[3]N[3])	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.7537	3.836	3	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:4:1:	4:3:4:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	H(C[3]C[6a]C[3]N[3])	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	114.7537	3.836	3	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:4:1:	4:4:4:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	H(C[3]C[6a]C[3]N[3])	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	114.6880	0.000	1	114.7605	0.011	2	114.7605	0.011	2	114.7605	0.011	2	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:3:4:1:	4:4:4:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	H(C[3]C[6a]C[3]N[3])	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	114.8330	0.000	1	114.7605	0.011	2	114.7605	0.011	2	114.7605	0.011	2	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:1:1:	4:4:3:	4:	N[3]-3:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	H(C[3]C[3]N[3]H)	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2{2|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	H(C[3]C[3]N[3]H)	117.6410	0.017	2	117.6410	0.000	2	117.6410	0.000	2	117.6410	0.000	2	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:1:1:	4:4:4:	4:	N[3]-3:C[3]-4:H-1:H-1:	C[5]-4:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]N[3]H)	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2{1|H<1>,2|C<3>}	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>}	H(C[3]C[3]N[3]H)	117.8650	0.004	2	117.8650	0.000	2	117.8650	0.000	2	117.8650	0.000	2	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-3:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[3]C[3]N[3]C)	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H){2|C<3>}	H(C[3]C[6a]C[3]N[3])	118.3407	0.798	4	118.3407	0.636	4	117.1593	3.765	6	117.1593	3.765	6	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.7965	0.412	2	114.7965	0.170	2	117.1593	3.765	6	117.1593	3.765	6	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	115.1377	3.151	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	115.1377	3.151	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:3:	4:	N[3]-3:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	H(C[3]C[3]N[3]C)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<3>,2|O<1>}	H(C[3]C[3]N[3]C)	116.4850	1.065	2	116.4850	1.134	2	116.4850	1.134	2	115.1377	3.151	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[5a]C[3]N[3])	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[5a]C[3]N[3])	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:P[3]-4:N[3]-3:H-1:	C[3]-4:P[3]-4:C-4:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H)	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3)	H(C[3]C[5a]N[3]P[3])	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H){1|H<1>,2|C<3>}	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3){1|C<3>,1|O<2>}	H(C[3]C[5a]N[3]P[3])	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.4707	0.492	3	114.4707	0.242	3	114.8812	0.880	5	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.5560	0.000	1	114.5560	0.000	1	114.8812	0.880	5	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	H(C[3]C[6a]C[3]N[3])	116.4380	0.000	1	116.4380	0.000	1	114.8812	0.880	5	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	115.3110	0.000	1	115.3110	0.000	1	114.9144	0.288	17	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.8107	0.266	4	114.8107	0.071	4	114.9144	0.288	17	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	115.1525	0.161	2	115.1525	0.026	2	114.9144	0.288	17	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.8228	0.693	9	114.8228	0.480	9	114.9144	0.288	17	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3){2|C<3>}	H(C[3]C[6a]C[3]N[3])	115.2810	0.000	1	115.2810	0.000	1	114.9144	0.288	17	114.9812	0.523	24	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[3]C[3]N[3]C)	114.1470	0.000	1	114.1470	0.000	1	114.7305	0.647	4	114.7305	0.647	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[3]C[3]N[3]C)	114.2400	0.000	1	114.2400	0.000	1	114.7305	0.647	4	114.7305	0.647	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[3]C[3]N[3]C)	115.8930	0.000	1	115.8930	0.000	1	114.7305	0.647	4	114.7305	0.647	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	3:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[3]C[3]N[3]C)	114.6420	0.000	1	114.6420	0.000	1	114.7305	0.647	4	114.7305	0.647	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	4:4:3:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	H(C[3]C[3]N[3]C)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<4>,2|O<1>}	H(C[3]C[3]N[3]C)	114.3983	1.676	6	114.3983	2.810	6	114.3983	2.810	6	114.3983	2.810	6	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:4:1:	4:4:4:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[5]-4:C[3]-4:C[3]-4:	C[3]-4:	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H)	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]N[3]C)	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H){1|H<1>,2|C<3>}	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>}	H(C[3]C[3]N[3]C)	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:3:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2{4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	H(C[3]C[3]N[3]H)	117.7285	0.013	2	117.7285	0.000	2	117.7285	0.000	2	117.7285	0.000	2	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:1:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]H)	115.8790	2.185	4	115.8790	4.773	4	115.8790	4.773	4	115.8790	4.773	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO)	H(C[3]C[3,5]N[3]H)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO){1|N<3>,1|O<1>,2|C<3>}	H(C[3]C[3,5]N[3]H)	117.7225	0.005	2	117.7225	0.000	2	117.7225	0.000	2	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:Cl-1:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO)	H(C[3]C[3]N[3]Cl)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO){2|C<3>}	H(C[3]C[3]N[3]Cl)	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	H(C[3]C[3]N[3]H)	117.7940	0.000	1	117.7940	0.000	1	117.3237	0.833	7	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	H(C[3]C[3]N[3]H)	115.9945	0.194	2	115.9945	0.038	2	117.3237	0.833	7	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	H(C[3]C[3]N[3]H)	117.8707	0.055	4	117.8707	0.003	4	117.3237	0.833	7	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO){2|C<3>}	H(C[3]C[3]N[3]H)	117.7850	0.045	2	117.7850	0.002	2	117.7850	0.002	2	117.3162	0.820	12	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO)	H(C[3]C[3,5]N[3]H)	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3]C[3,5]N[3]H)	117.7060	0.024	2	117.7060	0.001	2	117.7060	0.001	2	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	H(C[3]C[3]N[3]H)	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2{1|H<1>,2|C<4>}	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	H(C[3]C[3]N[3]H)	113.0300	5.930	2	113.0300	35.162	2	116.8739	5.976	14	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	H(C[3]C[3]N[3]H)	115.9090	1.358	2	115.9090	1.843	2	116.8739	5.976	14	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]H)	117.8204	0.040	8	117.8204	0.002	8	116.8739	5.976	14	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(C[3]C[3]N[3]H)	117.8965	0.021	2	117.8965	0.000	2	116.8739	5.976	14	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|N<3>}	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>}	H(C[3]C[3]N[3]H)	115.5028	2.662	4	115.5028	7.084	4	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2{1|H<1>,2|C<4>}	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[3]C[3]N[3]H)	117.6950	0.040	3	117.6950	0.002	3	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO){1|C<4>,1|H<1>,1|O<2>}	H(C[3]C[3]N[3]H)	117.8430	0.000	1	117.8430	0.000	1	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]H)	117.6930	0.047	2	117.6930	0.002	2	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	H(C[3]C[3]N[3]H)	117.6608	0.009	4	117.6608	0.000	4	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]H)	116.8710	2.442	16	116.8710	5.965	16	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3){2|C<3>}	H(C[3]C[3]N[3]H)	117.7605	0.011	2	117.7605	0.000	2	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	117.6780	0.000	1	117.6780	0.000	1	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]H)	112.9390	1.153	2	112.9390	1.328	2	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]H)	117.6121	1.402	18	117.6121	1.966	18	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SCOO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SCOO)	H(C[3]C[3]N[3]H)	113.8545	2.276	4	113.8545	5.179	4	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SC[6a]OO)	H(C[3]C[3]N[3]H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SC[6a]OO)	H(C[3]C[3]N[3]H)	117.7713	0.073	3	117.7713	0.005	3	116.8955	4.359	60	116.9129	4.482	76	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:2:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-2:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(C[3]C[3]N[3]C)	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:1:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.3590	0.000	1	114.3590	0.000	1	113.5603	2.856	3	114.4520	5.084	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:1:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	H(C[3]C[6a]C[3]N[3])	113.1610	2.181	2	113.1610	4.756	2	113.5603	2.856	3	114.4520	5.084	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	H(C[3]C[3]N[3]C)	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	114.4520	5.084	4	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-3:	C[3]-4:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	H(C[3]C[3,5]C[6a]N[3])	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	H(C[3]C[3,5]C[6a]N[3])	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	H(C[3]C[3,5]N[3]C)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	H(C[3]C[3,5]N[3]C)	115.1110	1.481	2	115.1110	2.192	2	115.1110	2.192	2	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	H(C[3]C[6a]C[3]N[3])	115.1970	0.000	1	115.1970	0.000	1	115.1970	0.000	1	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:N-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	N[3](C[3]C[6a]C[3]H)2(NCC)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(NCC){4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.3460	0.396	2	114.3460	0.157	2	114.3460	0.157	2	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	113.5790	0.222	3	113.5790	0.049	3	113.5790	0.049	3	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	H(C[3]C[3]N[3]C)	113.5440	0.000	1	113.5440	0.000	1	113.2325	0.194	2	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	H(C[3]C[3]N[3]C)	112.9210	0.000	1	112.9210	0.000	1	113.2325	0.194	2	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	113.5610	0.000	1	114.4920	0.495	4	114.4920	0.495	4	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	114.3330	0.000	1	114.4920	0.495	4	114.4920	0.495	4	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	115.0430	0.000	1	114.4920	0.495	4	114.4920	0.495	4	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	H(C[3]C[6a]C[3]N[3])	115.0310	0.000	1	114.4920	0.495	4	114.4920	0.495	4	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:3:	4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	H(C[3]Si[3,5]C[6a]N[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>}	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>}	H(C[3]Si[3,5]C[6a]N[3])	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	114.1654	0.824	17	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-4:	C[3]-4:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	H(C[3]C[3,5]C[6a]N[3])	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	H(C[3]C[3,5]C[6a]N[3])	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.7930	0.000	1	114.7930	0.000	1	114.1877	0.513	4	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO){4|C<3>}	H(C[3]C[6a]C[3]N[3])	113.8230	0.943	2	113.8230	0.890	2	114.1877	0.513	4	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	H(C[3]C[6a]C[3]N[3])	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	H(C[3]C[6a]C[3]N[3])	114.3120	0.000	1	114.3120	0.000	1	114.1877	0.513	4	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	H(C[3]C[3]N[3]C)	116.2025	1.179	2	116.2025	1.389	2	116.2025	1.389	2	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[3]N[3]C)	115.6890	0.000	1	115.6890	0.000	1	115.9915	0.183	2	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[3]N[3]C)	116.2940	0.000	1	116.2940	0.000	1	115.9915	0.183	2	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]C)	114.3580	0.000	1	114.3580	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]C)	116.0110	0.000	1	116.0110	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]C)	113.1770	0.000	1	113.1770	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]C)	116.1010	0.000	1	116.1010	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.3007	0.207	4	114.3007	0.043	4	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.4090	0.000	1	114.4090	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]N[3]C)	113.8490	0.000	1	113.8490	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	116.3760	0.000	1	116.3760	0.000	1	114.6804	1.050	11	114.9067	1.174	20	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:3:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	H(C[3]C[3]N[3]C)	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	H(C[3]C[3]N[3]C)	115.1320	0.000	1	115.1320	0.000	1	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	H(C[3]C[3]N[3]C)	116.0430	0.000	1	116.0430	0.000	1	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	H(C[3]C[3]N[3]C)	113.3235	0.196	2	113.3235	0.038	2	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	H(C[3]C[3]N[3]C)	115.7050	0.000	1	115.7050	0.000	1	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]C)	115.0590	0.000	1	115.0590	0.000	1	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[3]C[3]N[3]C)	115.6810	0.000	1	115.6810	0.000	1	114.8953	1.275	7	114.8953	1.275	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3,3]-4:C[3]-4:N[5]-3:	C[3]-4:	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	H(C[3]C[3,3]N[3]C)	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[3]C[3,3]N[3]C)	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	114.5600	0.000	1	114.5600	0.000	1	114.4384	0.140	5	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	114.0890	0.000	1	114.0890	0.000	1	114.4384	0.140	5	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	114.9890	0.000	1	114.9890	0.000	1	114.4384	0.140	5	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	H(C[3]C[3]N[3]C)	114.4620	0.000	1	114.4620	0.000	1	114.4384	0.140	5	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	H(C[3]C[3]N[3]C)	114.0920	0.000	1	114.0920	0.000	1	114.4384	0.140	5	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	H(C[3]C[3]N[3]C)	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:3:	4:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	H(C[3]C[3]N[3]S)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	H(C[3]C[3]N[3]S)	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	114.7572	0.686	8	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	H(C[3]C[3]N[3]C)	113.0460	0.000	1	113.0460	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	H(C[3]C[3]N[3]C)	115.4995	0.235	2	115.4995	0.055	2	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	H(C[3]C[3]N[3]C)	115.6340	0.000	1	115.6340	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(C[3]C[3]N[3]C)	114.9070	0.000	1	114.9070	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(C[3]C[3]N[3]C)	115.5020	0.000	1	115.5020	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(C[3]C[3]N[3]C)	113.2135	0.276	2	113.2135	0.076	2	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	115.0260	0.000	1	115.0260	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	114.5685	0.194	2	114.5685	0.038	2	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	H(C[3]C[3]N[3]C)	113.8150	0.000	1	113.8150	0.000	1	114.5411	0.980	12	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	H(C[3]C[3]N[3]C)	117.0790	0.000	1	117.0790	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	116.6530	0.000	1	116.6530	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	H(C[3]C[3]N[3]C)	113.4045	0.779	2	113.4045	0.606	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.4750	0.000	1	114.4750	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.6264	0.339	5	114.6264	0.115	5	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.7883	0.297	6	114.7883	0.088	6	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	H(C[3]C[3]N[3]C)	115.4600	0.000	1	115.4600	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.9048	0.676	6	114.9048	0.458	6	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.7525	0.512	4	114.7525	0.262	4	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	115.9360	0.000	1	115.9360	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.9990	2.895	2	114.9990	8.380	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.9670	0.000	1	114.9670	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.5240	0.000	1	114.5240	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.1200	0.023	2	114.1200	0.001	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.0570	1.536	2	114.0570	2.359	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	H(C[3]C[3]N[3]C)	118.3895	0.499	2	118.3895	0.249	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	114.8740	0.000	1	114.8740	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	115.9027	1.987	3	115.9027	3.948	3	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	113.4210	1.328	2	113.4210	1.763	2	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	115.2330	0.000	1	115.2330	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	116.5120	0.000	1	116.5120	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]N[3]C)	115.6900	0.000	1	115.6900	0.000	1	115.0254	1.669	47	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(C[3]C[3]N[3]S)	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(C[3]C[3]N[3]S)	116.6170	0.000	1	116.6170	0.000	1	116.6170	0.000	1	114.9551	1.570	60	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	H(C[3]C[3]C[5]N[3])	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[3]C[3]C[5]N[3])	115.2710	0.000	1	115.2710	0.000	1	115.2710	0.000	1	115.2710	0.000	1	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO)	H(C[3]C[3]2N[3])	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|S<4>,2|H<1>}	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>}	H(C[3]C[3]2N[3])	114.2945	2.494	2	114.2945	6.220	2	114.2945	6.220	2	114.3599	2.071	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[3]-4:C[5]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H)	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	H(C[3]C[3]C[5]N[3])	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	H(C[3]C[3]C[5]N[3])	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	114.3599	2.071	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:P[3]-4:N[3]-3:H-1:	C[3]-4:P[3]-4:C-4:	C[3]-4:	C[3](C[5]C[5]2Fe)(P[3]N[3]CW)(N[3]P[3]C)(H)	N[3](C[3]C[5]P[3]H)(P[3]C[3]CW)(CH3)	H(C[3]C[5]N[3]P[3])	C[3](C[5]C[5]2Fe)(P[3]N[3]CW)(N[3]P[3]C)(H){2|C<4>,2|H<1>}	N[3](C[3]C[5]P[3]H)(P[3]C[3]CW)(CH3){1|Fe<10>,2|C<4>}	H(C[3]C[5]N[3]P[3])	114.1877	0.343	3	114.1877	0.118	3	114.1877	0.118	3	114.3599	2.071	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO)	H(C[3]C[3]C[6]N[3])	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO){1|C<4>,1|H<1>,1|O<2>}	H(C[3]C[3]C[6]N[3])	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	114.3599	2.071	7	115.7136	3.434	298	116.2875	7.841	447
486	138	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	9:3:1:1:	9:4:4:	4:	Nb[5x3]-9:N[3]-3:H-1:H-1:	Nb[5x3]-9:C[3]-4:C-4:	C[3]-4:	C[3](Nb[5x3]C[3,3]2N[3]3O[3]2N)(N[3]Nb[5x3]C)(H)2	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3]Nb[5x3]HH)(CH3)	H(C[3]Nb[5x3]N[3]H)	C[3](Nb[5x3]C[3,3]2N[3]3O[3]2N)(N[3]Nb[5x3]C)(H)2{4|C<3>}	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3]Nb[5x3]HH)(CH3){4|C<3>}	H(C[3]Nb[5x3]N[3]H)	117.7530	0.010	2	117.7530	0.000	2	117.7530	0.000	2	117.7530	0.000	2	115.7136	3.434	298	116.2875	7.841	447
486	138	952	0:SP3_SP3_SP3	C[3]	N[3]	S	4:3:4:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	115.7190	2.381	2	115.7190	2.381	2
486	138	952	0:SP3_SP3_SP3	C[3]	N[3]	S	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	115.7190	2.381	2	115.7190	2.381	2
486	138	962	0:SP3_SP2_SP3	C[3,3]	N[3]	O[3]	6:3:2:2:	6:4:4:	6:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-2:	Nb[3,3,6]-6:C[3,3]-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O){1|C<4>,4|C<3>}	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	113.4462	0.243	5	113.4462	0.243	5
486	138	962	0:SP3_SP2_SP3	C[3,3]	N[3]	O[3]	7:3:3:2:	4:7:3:	4:7:	Nb[3,3]-7:N[3]-3:C[6a]-3:O[3]-2:	C[3,3]-4:Nb[3,3]-7:C[6a]-3:	C[3,3]-4:Nb[3,3]-7:	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3])	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2)	O[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]N3O)	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3]){2|C<4>,4|C<3>}	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	O[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]N3O){3|C<3>}	113.6980	0.000	2	113.6980	0.000	2	113.6980	0.000	2	113.6980	0.000	2	113.4462	0.243	5	113.4462	0.243	5
486	138	962	0:SP3_SP2_SP3	C[3,3]	N[3]	O[3]	9:3:3:2:	9:4:3:	9:4:	Nb[5x3]-9:N[3]-3:C[6a]-3:O[3]-2:	Nb[5x3]-9:C[3,3]-4:C[6a]-3:	Nb[5x3]-9:C[3,3]-4:	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3])	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2)	O[3](Nb[5x3]C[3,3]2C[3]N[3]3O[3]N)(C[3,3]Nb[5x3]C[6a]N[3])	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3]){2|H<1>,3|C<4>,6|C<3>}	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[3](Nb[5x3]C[3,3]2C[3]N[3]3O[3]N)(C[3,3]Nb[5x3]C[6a]N[3]){1|C<4>,2|H<1>,5|C<3>}	113.5555	0.548	2	113.5555	0.300	2	113.5555	0.300	2	113.5555	0.300	2	113.4462	0.243	5	113.4462	0.243	5
486	138	962	0:SP3_SP3_SP3	C[3,3]	N[3]	O[3]	6:3:2:1:	6:4:4:	6:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-1:	Nb[3,3,6]-6:C[3,3]-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(O)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(O){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O){1|C<4>,4|C<3>}	106.4240	0.000	1	106.4240	0.000	1	106.4240	0.000	1	106.4240	0.000	1	108.1418	11.819	4	108.1418	11.819	4
486	138	962	0:SP3_SP3_SP3	C[3,3]	N[3]	O[3]	6:3:2:2:	6:4:4:	6:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:O-2:	Nb[3,3,6]-6:C[3,3]-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(OB){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]O){1|C<4>,4|C<3>}	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	108.1418	11.819	4	108.1418	11.819	4
486	138	962	0:SP3_SP3_SP3	C[3,3]	N[3]	O[3]	6:3:2:3:	6:4:4:	6:4:	Nb[3,3,6]-6:N[3]-3:O[3]-2:C-3:	Nb[3,3,6]-6:C[3,3]-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(CC[6a]2)	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3)	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]C)	C[3,3](Nb[3,3,6]N[3]N[6]2O[3]N)(N[3]Nb[3,3,6]C)(O[3]Nb[3,3,6])(CC[6a]2){4|C<3>}	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3){4|C<3>}	O[3](Nb[3,3,6]C[3,3]N[3]N[6]2N)(C[3,3]Nb[3,3,6]N[3]C){1|C<4>,4|C<3>}	106.4225	0.095	2	106.4225	0.009	2	106.4225	0.009	2	106.4225	0.009	2	108.1418	11.819	4	108.1418	11.819	4
486	138	962	3:SP3_SP3_SP3	C[3,5]	N[3,5]	O[3]	3:3:3:2:	4:4:2:	4:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:S[5]-4:O[3]-2:	C[3,5]-4:N[3,5]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5])	O[3](C[3,5]C[5,6a]N[3,5]C[6a])(N[3,5]C[3,5]S[5])	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5]){4|C<3>}	O[3](C[3,5]C[5,6a]N[3,5]C[6a])(N[3,5]C[3,5]S[5]){2|O<1>,4|C<3>}	62.5906	0.000	1	62.5906	0.000	1	62.5906	0.000	1	62.5906	0.000	1	62.5906	0.000	1	63.7894	0.230	11
486	138	962	3:SP3_SP3_SP3	C[3,6]	N[3,6]	O[3]	3:3:2:1:	4:4:2:	4:3:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[3,6]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6]){1|H<1>,3|C<3>}	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]){1|H<1>,2|C<3>,2|C<4>}	63.6442	0.163	2	63.6442	0.027	2	63.6442	0.027	2	63.6442	0.027	2	63.6442	0.027	2	63.7894	0.230	11
486	138	962	3:SP3_SP3_SP3	C[3]	N[3]	O[3]	3:2:4:4:	4:4:2:	4:3:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:P-4:O[3]-2:	C[3]-4:N[3]-3:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	O[3](C[3]N[3]CC)(N[3]C[3]P)	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	O[3](C[3]N[3]CC)(N[3]C[3]P)	63.5020	0.000	1	63.5020	0.000	1	63.5020	0.000	1	63.5020	0.000	1	63.9756	0.073	8	63.7894	0.230	11
486	138	962	3:SP3_SP3_SP3	C[3]	N[3]	O[3]	3:3:2:1:	4:2:4:	4:3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:	C[3]-4:N[3]-3:	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C)	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3){2|C<3>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){2|C<3>}	63.9254	0.114	4	63.9254	0.013	4	63.9254	0.013	4	63.9254	0.013	4	63.9756	0.073	8	63.7894	0.230	11
486	138	962	3:SP3_SP3_SP3	C[3]	N[3]	O[3]	3:3:2:1:	4:4:2:	4:3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:	C[3]-4:N[3]-3:	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C)	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){1|C<3>,1|N<2>}	64.0252	0.000	1	64.0252	0.000	1	64.0252	0.000	1	64.0252	0.000	1	63.9756	0.073	8	63.7894	0.230	11
486	138	962	3:SP3_SP3_SP3	C[3]	N[3]	O[3]	3:3:3:2:	4:4:2:	4:3:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[3]-4:C-4:O[3]-2:	C[3]-4:N[3]-3:	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	O[3](C[3]C[6a]2N[3])(N[3]C[3]C)	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	O[3](C[3]C[6a]2N[3])(N[3]C[3]C){2|C<3>,2|N<2>}	64.2880	0.206	2	64.2880	0.043	2	64.2880	0.043	2	64.2880	0.043	2	63.9756	0.073	8	63.7894	0.230	11
486	138	968	0:SP3_SP-NON_SP3	C[3,3]	N[3]	H[3]	6:3:2:1:	6:4:4:	6:4:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-6:C[3,3]-4:C-4:	C[3,3]-6:C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1
486	138	976	0:SP3_SP2_SP3	C[3,5]	N[3]	O[5]	4:3:3:2:	4:4:1:	4:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O){3|C<3>,3|H<1>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1
486	138	983	0:SP3_SP1_SP3	C[3,5]	N[3,5]	C	4:3:3:2:	4:4:4:	4:1:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	C(C[3,5]N[3,5]C[3]C[5])(N)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	C(C[3,5]N[3,5]C[3]C[5])(N)	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3,6]	N[3]	C	4:4:3:2:	4:4:1:	4:1:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N-1:	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	117.2807	0.690	4	117.2807	0.690	4	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3,6]	N[3]	C	4:4:3:2:	4:4:1:	4:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	117.1550	0.000	1	117.1550	0.000	1	117.1640	0.954	3	117.2807	0.690	4	117.2807	0.690	4	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3,6]	N[3]	C	4:4:3:2:	4:4:1:	4:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N-1:	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	117.1685	1.381	2	117.1685	1.907	2	117.1640	0.954	3	117.2807	0.690	4	117.2807	0.690	4	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3]	N[3]	C	4:3:2:1:	4:4:4:	4:2:	C[3]-4:N[3]-3:C-2:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C(C[3]C[3]N[3]H)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C(C[3]C[3]N[3]H)(CH)	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	114.0267	12.424	6	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3]	N[3]	C	4:3:4:2:	4:4:4:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)	114.1310	0.000	1	114.1310	0.000	1	113.3008	11.578	5	113.3008	11.578	5	114.0267	12.424	6	115.6725	10.264	11
486	138	983	0:SP3_SP1_SP3	C[3]	N[3]	C	4:3:4:2:	4:4:4:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH)	113.0932	3.892	4	113.0932	15.150	4	113.3008	11.578	5	113.3008	11.578	5	114.0267	12.424	6	115.6725	10.264	11
486	206	899	0:SP3_SP-NON_SP1	C[3,6]	C[6]	C	3:2:2:1:	4:3:	4:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3,6]-3:	C[3,6]-4:	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3])	C(C[3,6]C[3,6]C[3]C[6])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]){1|C<1>,1|C<2>}	C(C[3,6]C[3,6]C[3]C[6])	77.1302	2.770	3	77.1302	7.675	3	77.1302	7.675	3	77.1302	7.675	3	77.1302	7.675	3	77.1302	7.675	3
486	206	902	6:SP3_SP1_SP2	C[3,6]	C[6]	C[3,6]	3:2:2:1:	4:3:	4:2:2:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3,6]-3:	C[3,6]-4:C[3]-2:C[6]-2:	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3])	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]){1|C<1>,1|C<2>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6]){1|C<1>,1|C<2>,1|C<3>}	139.6900	0.765	3	139.6900	0.586	3	139.6900	0.586	3	139.6900	0.586	3	139.6900	0.586	3	139.6900	0.586	3
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:3:4:2:	3:4:3:	4:2:4:1:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H){1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	117.7475	1.518	2	117.7475	2.305	2	117.7475	2.305	2	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:F-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(F)(H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(F)(H){2|C<3>}	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]FH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]FH)(H)2{2|C<3>}	119.7180	0.000	1	119.7180	0.000	1	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	118.7700	0.174	2	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	118.1740	0.928	18	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	118.3315	1.163	2	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	117.8097	1.393	22	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	118.0635	1.189	2	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	119.0518	0.997	80	118.6780	1.361	126	118.6861	1.359	127	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]CC)(H)2	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	120.5630	0.000	1	120.5630	0.000	1	118.5895	2.503	4	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]CH)(H)2	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	116.7020	0.000	1	116.7020	0.000	1	118.5895	2.503	4	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<3>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	118.5465	0.220	2	118.5465	0.048	2	118.5895	2.503	4	118.6615	1.382	134	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:3:1:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:H-1:	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(COO)(H)	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(COO)(H){2|C<3>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	118.6622	1.363	137	118.6622	1.363	137
486	217	486	0:SP3_SP2_SP3	C[3]	N[6a]	C[3]	3:4:4:1:	3:3:4:	4:4:3:3:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:C-3:	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](C[3]N[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	118.6622	1.363	137	118.6622	1.363	137
486	217	643	0:SP3_SP2_SP2	C[3]	N[6a]	C[6a]	3:3:4:2:	3:4:3:	4:3:3:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H){1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	H(C[3]N[6a]C[3]2)	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	H(C[3]N[6a]C[3]2)	116.0440	0.000	1	116.0440	0.000	1	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	H(C[3]N[6a]C[3]2)	115.9770	0.000	1	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	H(C[3]N[6a]C[3]2)	115.0062	2.608	9	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	H(C[3]N[6a]C[3]2)	116.1290	0.000	1	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[3]N[6a]C[3]2)	116.4106	0.698	11	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	H(C[3]N[6a]C[3]2)	116.2030	0.000	1	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	H(C[3]N[6a]C[3]2)	115.1412	1.299	40	115.3894	2.289	63	115.3996	2.260	64	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	H(C[3]N[6a]C[3]2)	115.0700	0.000	1	115.0700	0.000	1	115.3577	1.423	3	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[3]N[6a]C[3]2)	116.6680	0.000	1	116.6680	0.000	1	115.3577	1.423	3	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	951	0:SP3_SP-NON_SP2	C[3]	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	H(C[3]N[6a]C[3]2)	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<3>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]N[6a]C[3]2)	114.3350	0.000	1	114.3350	0.000	1	115.3577	1.423	3	115.4127	2.183	68	115.4127	2.183	68	115.4127	2.183	68
486	217	962	0:SP3_SP2_SP3	C[3]	N[6a]	O[3]	3:3:4:2:	3:4:3:	4:4:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1
486	226	486	0:SP3_SP3_SP3	C[3,4]	O[4]	C[3]	4:4:4:2:	4:4:	4:4:1:1:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	C[3,4]-4:C[4,6]-4:	C[3,4]-4:C[3]-4:H-1:H-1:	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6])	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2)	C[3](C[3,4]C[3,4]C[3]O[4])(C[3]C[3,4]HH)(H)2	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6]){2|C<3>,4|H<1>}	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[3](C[3,4]C[3,4]C[3]O[4])(C[3]C[3,4]HH)(H)2{3|C<4>}	121.8695	0.359	2	121.8695	0.129	2	121.8695	0.129	2	121.6010	0.309	4	121.6010	0.309	4	121.6010	0.309	4
486	226	486	0:SP3_SP3_SP3	C[3,4]	O[4]	C[3]	4:4:4:2:	4:4:	4:4:1:1:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	C[4,5]-4:C[3,4]-4:	C[3,4]-4:C[3]-4:H-1:H-1:	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5])	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2)	C[3](C[3,4]C[3,4]C[3]O[4])(C[3]C[3,4]HH)(H)2	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5]){2|C<3>,4|H<1>}	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3,4]C[3,4]C[3]O[4])(C[3]C[3,4]HH)(H)2{3|C<4>}	121.3325	0.715	2	121.3325	0.511	2	121.3325	0.511	2	121.6010	0.309	4	121.6010	0.309	4	121.6010	0.309	4
486	226	486	4:SP3_SP3_SP3	C[3,4]	O[4]	C[3,4]	4:4:4:2:	4:4:	4:4:4:4:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	C[3,4]-4:C[4,6]-4:	C[3,4]-4:C[4,6]-4:C[3]-4:C[3]-4:	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6])	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2)	C[3,4](C[3,4]C[3]2O[4])(C[4,6]C[6]2O[4])(C[3]C[3]HH)2	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6]){2|C<3>,4|H<1>}	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[3,4](C[3,4]C[3]2O[4])(C[4,6]C[6]2O[4])(C[3]C[3]HH)2{2|C<3>,6|H<1>}	92.4257	0.000	1	92.4257	0.000	1	92.4257	0.000	1	92.3598	0.009	2	92.3598	0.009	2	92.3598	0.009	2
486	226	486	4:SP3_SP3_SP3	C[3,4]	O[4]	C[3,4]	4:4:4:2:	4:4:	4:4:4:4:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	C[4,5]-4:C[3,4]-4:	C[4,5]-4:C[3,4]-4:C[3]-4:C[3]-4:	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5])	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2)	C[3,4](C[4,5]C[5,6a]C[5]O[4])(C[3,4]C[3]2O[4])(C[3]C[3]HH)2	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5]){2|C<3>,4|H<1>}	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,4](C[4,5]C[5,6a]C[5]O[4])(C[3,4]C[3]2O[4])(C[3]C[3]HH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	92.2938	0.000	1	92.2938	0.000	1	92.2938	0.000	1	92.3598	0.009	2	92.3598	0.009	2	92.3598	0.009	2
486	234	466	6:SP3_SP3_SP3	C[3,6,6]	N[3,5,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2{1|H<1>,7|C<4>}	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1
486	234	474	5:SP3_SP3_SP3	C[3,5,6]	N[3,5,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	108.0000	3.718	6
486	234	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	109.2840	0.037	2	109.2840	0.001	2	109.2840	0.001	2	109.2840	0.001	2	108.6698	1.282	5	108.0000	3.718	6
486	234	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:4:4:1:	4:4:4:4:	4:2:1:1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2{1|C<4>,2|C<2>,2|H<1>}	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	108.6698	1.282	5	108.0000	3.718	6
486	234	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.6698	1.282	5	108.0000	3.718	6
486	234	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	108.6698	1.282	5	108.0000	3.718	6
486	234	486	3:SP3_SP3_SP3	C[3,5,6]	N[3,5,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	60.6251	0.000	1	60.6251	0.000	1	60.6251	0.000	1	60.6251	0.000	1	60.6251	0.000	1	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	60.2419	0.164	2	60.2419	0.027	2	60.2419	0.027	2	60.2419	0.027	2	60.5009	0.574	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:4:1:	4:4:4:4:	4:4:1:1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	59.8604	0.000	1	59.8604	0.000	1	59.8604	0.000	1	60.1076	0.122	2	60.5009	0.574	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:4:1:	4:4:4:4:	4:4:1:1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	60.3547	0.000	1	60.3547	0.000	1	60.3547	0.000	1	60.1076	0.122	2	60.5009	0.574	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	61.8058	0.000	1	61.8058	0.000	1	61.8058	0.000	1	61.8058	0.000	1	60.5009	0.574	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3,6,6]	N[3,5,6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	60.9742	0.000	1	60.9742	0.000	1	60.9742	0.000	1	60.9742	0.000	1	60.9742	0.000	1	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	61.3237	0.000	1	61.3237	0.000	1	61.3237	0.000	1	61.0090	0.198	2	60.0744	0.795	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	60.6943	0.000	1	60.6943	0.000	1	60.6943	0.000	1	61.0090	0.198	2	60.0744	0.795	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	59.5506	0.113	2	59.5506	0.013	2	59.5506	0.013	2	59.5506	0.013	2	60.0744	0.795	5	60.3730	0.584	12
486	234	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:4:3:1:	4:4:4:4:	4:4:4:1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	59.2531	0.000	1	59.2531	0.000	1	59.2531	0.000	1	59.2531	0.000	1	60.0744	0.795	5	60.3730	0.584	12
486	234	490	0:SP3_SP3_SP3	C[3,5,6]	N[3,5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C(C[3,5,6]C[3,6,6]N[3,5,6]C[5,6])(H)3	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C(C[3,5,6]C[3,6,6]N[3,5,6]C[5,6])(H)3	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1
486	234	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:S-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	116.2080	0.550	2	116.2080	0.303	2	116.2080	0.303	2	116.2080	0.303	2	116.2080	0.303	2	116.2080	0.303	2
486	234	643	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6,6a]	3:4:2:1:	4:4:2:4:	4:3:3:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1
486	234	818	0:SP3_SP2_SP3	C[3]	N[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:N[5]-3:N[5]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{2|H<1>,4|C<4>}	118.7575	1.148	2	118.7575	1.317	2	118.7575	1.317	2	118.7575	1.317	2	119.5880	2.728	3	119.5880	2.728	3
486	234	818	0:SP3_SP2_SP3	C[3]	N[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:N[5]-3:N[5]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{1|H<1>,5|C<4>}	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	119.5880	2.728	3	119.5880	2.728	3
486	234	902	3:SP3_SP2_SP3	C[3]	N[3,6]	C[3]	4:3:1:1:	4:4:4:3:	4:4:3:	N[3,6]-4:C[3]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	N[3,6]-4:C[3]-4:C-3:	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2{6|C<4>}	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH){6|C<4>}	59.9958	0.098	2	59.9958	0.010	2	59.9958	0.010	2	59.9958	0.010	2	59.9958	0.010	2	59.9958	0.010	2
486	234	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	H(C[3,5]N[3,5]C[3]C[5])	118.7175	0.115	2	118.7175	0.013	2	118.7175	0.013	2	118.7175	0.013	2	118.6752	0.128	5	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(C[3,5]N[3,5]C[3]C[5])	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.6470	0.246	3	118.6752	0.128	5	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:4:4:1:	4:4:4:4:	4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	118.6470	0.246	3	118.6752	0.128	5	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3,5]	N[3,5]	H	4:4:4:1:	4:4:4:4:	4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	H(C[3,5]N[3,5]C[3]C[5])	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	H(C[3,5]N[3,5]C[3]C[5])	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.6470	0.246	3	118.6752	0.128	5	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3,6,6]	N[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[3,6,6]C[3,5,6]N[3,5,6]C[6,6])	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	H(C[3,6,6]C[3,5,6]N[3,5,6]C[6,6])	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3,6]	N[3,6]	H	3:4:2:1:	4:4:2:4:	4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	H(C[3,6]C[6,6a]N[3,6]O[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	H(C[3,6]C[6,6a]N[3,6]O[3])	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	H(C[3]C[3,5]N[3,5]H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	H(C[3]C[3,5]N[3,5]H)	117.6175	0.016	2	117.6175	0.000	2	117.6175	0.000	2	117.6495	0.001	4	116.3887	3.089	7	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	H(C[3]C[3,5]N[3,5]H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	H(C[3]C[3,5]N[3,5]H)	117.6815	0.011	2	117.6815	0.000	2	117.6815	0.000	2	117.6495	0.001	4	116.3887	3.089	7	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	H(C[3]C[3,5]N[3,5]C[5])	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	H(C[3]C[3,5]N[3,5]C[5])	115.4375	0.704	2	115.4375	0.495	2	115.4375	0.495	2	115.4375	0.495	2	116.3887	3.089	7	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	H(C[3]C[3,5]N[3,5]C[5])	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(C[3]C[3,5]N[3,5]C[5])	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	116.3887	3.089	7	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3,6]	H	4:3:1:1:	4:4:4:3:	4:	N[3,6]-4:C[3]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	C[3]-4:	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	H(C[3]N[3,6]C[3]H)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2{6|C<4>}	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	H(C[3]N[3,6]C[3]H)	117.7893	0.027	3	117.7893	0.001	3	117.7893	0.001	3	117.7893	0.001	3	117.7893	0.001	3	117.0589	2.569	19
486	234	951	0:SP3_SP-NON_SP3	C[3]	N[3]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:S-4:O[3]-2:H-1:	C[3]-4:	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	H(C[3]C[6a]N[3]O[3])	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	H(C[3]C[6a]N[3]O[3])	116.2515	0.339	2	116.2515	0.115	2	116.2515	0.115	2	116.2515	0.115	2	116.2515	0.115	2	117.0589	2.569	19
486	234	962	3:SP3_SP3_SP3	C[3,6]	N[3,6]	O[3]	3:4:2:1:	4:4:2:4:	4:4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:N[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	61.5363	0.000	1	61.5363	0.000	1	61.5363	0.000	1	61.5363	0.000	1	61.5363	0.000	1	62.4887	0.687	3
486	234	962	3:SP3_SP3_SP3	C[3]	N[3]	O[3]	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:S-4:O[3]-2:H-1:	C[3]-4:N[3]-4:	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	62.9650	0.112	2	62.9650	0.013	2	62.9650	0.013	2	62.9650	0.013	2	62.9650	0.013	2	62.4887	0.687	3
486	238	362	3:SP3_SPD6_SPD7	C[3x3]	C[3x3,4]	C[3x3]	7:6:5:2:	6:4:5:3:4:4:2:	7:4:3:5:1:1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	58.8076	0.000	1	58.8076	0.000	1	58.8076	0.000	1	58.8076	0.000	1	58.8076	0.000	1	58.8076	0.000	1
486	238	398	0:SP3_SP-NON_SPD7	C[3,4x4,5]	C[6x3,4,4]	H[3,4,4,5]	7:4:3:5:	6:5:4:4:3:2:1:	6:4:2:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1
486	238	778	3:SP3_SPD5_SPD7	C[3x3]	C[3x3,4]	C[3,3]	7:6:5:2:	6:4:5:3:4:4:2:	7:4:2:1:1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	76.7669	0.000	1	76.7669	0.000	1	76.7669	0.000	1	76.7669	0.000	1	76.7669	0.000	1	76.7669	0.000	1
486	238	794	4:SP3_SPD5_SPD7	C[3,4x4,5]	C[6x3,4,4]	C[4,4,5]	7:4:3:5:	6:5:4:4:3:2:1:	5:4:2:1:1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1
486	238	920	3:SP3_SP3_SPD7	C[3,4x4,5]	C[6x3,4,4]	O[4x3,4,4]	7:4:3:5:	6:5:4:4:3:2:1:	6:5:7:4:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	61.5162	0.000	1	61.5162	0.000	1	61.5162	0.000	1	61.5162	0.000	1	61.5162	0.000	1	61.5162	0.000	1
486	238	968	0:SP3_SP-NON_SPD7	C[3x3]	C[3x3,4]	H[3]	7:6:5:2:	6:4:5:3:4:4:2:	4:5:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3]-4:C[3,3]-5:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1
486	246	490	0:SP3_SP3_SP3	C[3,5,5,6]	P[3x5,6]	C	4:3:3:4:	4:4:3:	4:4:4:4:	P[3,5,5]-4:P[3,5,5,6]-3:P[3x5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:	C[3,5,5,6]-4:C-4:C-4:C-4:	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3)	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C)	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3){1|O<1>,1|P<2>,3|C<4>}	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C){1|Cr<6>,1|C<4>,1|O<1>}	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1
486	246	852	6:SP3_SP3_SP3	C[3,5,5,6]	P[3x5,6]	P[3,5,5,6]	4:3:3:4:	4:4:3:	4:4:4:	P[3,5,5]-4:P[3,5,5,6]-3:P[3x5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3)	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C)	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C)	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3){1|O<1>,1|P<2>,3|C<4>}	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C){1|Cr<6>,1|C<4>,1|O<1>}	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C){1|C<3>,1|C<4>,1|O<1>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1
486	286	486	0:SP3_SP2_SP3	C[3,6]	S[6]	C[3]	4:4:2:3:	3:4:	4:4:4:1:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H)	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H){4|C<3>}	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1
486	286	486	6:SP3_SP2_SP3	C[3,6]	S[6]	C[3,6]	4:4:2:3:	3:4:	4:4:4:4:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	C[6,6a]-3:C[3,6]-4:	P[6]-4:C[3,6]-4:C[3]-4:C-4:	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH)	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH){6|C<3>}	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1
486	286	956	0:SP3_SP2_SP3	C[3,6]	S[6]	N	4:4:2:3:	3:4:	4:4:4:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1
486	310	442	0:SP3_SP3_SPD5	C[3,3,5,5x6]	Ge	B[3x3,5,5,9x6]	6:5:6:4:	4:4:4:1:	6:6:5:4:3:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC){1|B<6>,1|C<4>,4|H<1>}	91.8168	0.000	1	91.8168	0.000	1	91.8168	0.000	1	91.8168	0.000	1	91.8168	0.000	1	91.8168	0.000	1
486	334	778	5:SP3_SP1_SPD5	C[3,5]	C[5]	C[3,4,5]	5:2:2:3:	4:4:	4:4:2:2:1:	C[3,4,5]-5:H[3]-2:C[5]-2:C-3:	C[3,5]-4:C[5]-4:	C[3,5]-4:C[4,5]-4:H[3]-2:H[4]-2:H-1:	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O)	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH)	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H)	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O){1|H<2>,3|H<1>}	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH){2|H<1>,2|H<2>}	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H){2|H<1>}	101.2100	0.000	1	101.2100	0.000	1	101.2100	0.000	1	101.2100	0.000	1	101.2100	0.000	1	101.2100	0.000	1
486	334	930	0:SP3_SP1_SP2	C[3,5]	C[5]	C	5:2:2:3:	4:4:	4:3:2:	C[3,4,5]-5:H[3]-2:C[5]-2:C-3:	C[3,5]-4:C[5]-4:	C[3,5]-4:N[5a]-3:O-2:	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O)	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH)	C(C[3,5]C[3,4,5]C[5]H[3])(N[5a]C[5a,6a]2)(OO)	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O){1|H<2>,3|H<1>}	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH){2|H<1>,2|H<2>}	C(C[3,5]C[3,4,5]C[5]H[3])(N[5a]C[5a,6a]2)(OO)	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1
486	334	968	0:SP3_SP-NON_SP1	C[3,5]	C[5]	H[3]	5:2:2:3:	4:4:	5:4:	C[3,4,5]-5:H[3]-2:C[5]-2:C-3:	C[3,5]-4:C[5]-4:	C[3,4,5]-5:C[3,5]-4:	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O)	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH)	H[3](C[3,4,5]C[3,5]C[4,5]H[4]H)(C[3,5]C[3,4,5]C[5]C)	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O){1|H<2>,3|H<1>}	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH){2|H<1>,2|H<2>}	H[3](C[3,4,5]C[3,5]C[4,5]H[4]H)(C[3,5]C[3,4,5]C[5]C)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1
486	346	474	5:SP3_SP3_SPD9	C[3,5,6]	I[8x3,5]	C[5,6]	9:3:4:1:	4:3:4:4:4:4:4:4:4:	4:3:4:1:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1
486	346	486	3:SP3_SP3_SPD9	C[3,3,5]	I[8x3,5]	C[3,3,5]	9:4:4:4:	4:3:4:4:4:4:4:4:4:	9:4:4:4:	I[8x3,5]-9:C[3,3,5]-4:C[3,3,5]-4:C-4:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	I[8x3,5]-9:C[3,3,5]-4:C[3,3,5]-4:C-4:	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3)	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3){1|C<3>,3|C<4>,3|H<1>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3){1|C<3>,3|C<4>,3|H<1>}	71.0951	1.239	9	71.0951	1.535	9	71.0951	1.535	9	71.0951	1.535	9	71.0951	1.535	9	71.0206	1.600	11
486	346	486	3:SP3_SP3_SPD9	C[3,3,6]	I[8x3,5]	C[3,5,6]	9:3:4:1:	4:3:4:4:4:4:4:4:4:	9:4:3:1:	I[8x3,5]-9:C[3,3,6]-3:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H){1|H<1>,1|O<1>,6|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	71.9996	0.000	1	71.9996	0.000	1	71.9996	0.000	1	71.9996	0.000	1	71.9996	0.000	1	71.0206	1.600	11
486	346	486	3:SP3_SP3_SPD9	C[3,5,6]	I[8x3,5]	C[3,3,6]	9:4:3:1:	4:3:4:4:4:4:4:4:4:	9:3:4:1:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	I[8x3,5]-9:C[3,3,6]-3:C[3,5,6]-4:H-1:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H){1|H<1>,1|O<1>,6|C<4>}	69.3713	0.000	1	69.3713	0.000	1	69.3713	0.000	1	69.3713	0.000	1	69.3713	0.000	1	71.0206	1.600	11
486	346	490	0:SP3_SP3_SPD9	C[3,3,5]	I[8x3,5]	C	9:4:4:4:	4:3:4:4:4:4:4:4:4:	4:1:1:1:	I[8x3,5]-9:C[3,3,5]-4:C[3,3,5]-4:C-4:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,3,5]-4:H-1:H-1:H-1:	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C(C[3,3,5]C[3,3,5]2I[8x3,5])(H)3	C[3,3,5](I[8x3,5]C[3,3,5]4C[3,3,6]2C[3,5,6]2)(C[3,3,5]C[3,3,5]I[8x3,5]C)2(CH3){1|C<3>,3|C<4>,3|H<1>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C(C[3,3,5]C[3,3,5]2I[8x3,5])(H)3	125.6186	1.227	5	125.6186	1.505	5	125.6186	1.505	5	125.6186	1.505	5	125.6186	1.505	5	125.6186	1.505	5
486	346	818	5:SP3_SP2_SPD9	C[3,5,6]	I[8x3,5]	C[5,6]	9:4:3:1:	4:3:4:4:4:4:4:4:4:	4:4:1:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,5,6]-4:C[5,6]-4:O-1:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O){1|C<3>,2|H<1>,5|C<4>}	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1
486	346	902	3:SP3_SP2_SPD9	C[3,3,6]	I[8x3,5]	C[3,3,6]	9:3:4:1:	4:3:4:4:4:4:4:4:4:	9:4:4:	I[8x3,5]-9:C[3,3,6]-3:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	I[8x3,5]-9:C[3,3,6]-4:C[3,5,6]-4:	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5]H)(C[3,5,6]I[8x3,5]C[5,6]H)	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H){1|H<1>,1|O<1>,6|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5]H)(C[3,5,6]I[8x3,5]C[5,6]H){1|C<3>,1|P<4>,2|H<1>,5|C<4>}	71.7501	0.000	1	71.7501	0.000	1	71.7501	0.000	1	71.7501	0.000	1	71.7501	0.000	1	71.2314	0.538	2
486	346	902	3:SP3_SP2_SPD9	C[3,5,6]	I[8x3,5]	C[3,3,6]	9:3:4:1:	4:3:4:4:4:4:4:4:4:	9:4:4:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	I[8x3,5]-9:C[3,3,6]-4:C[3,5,6]-4:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5]H)(C[3,5,6]I[8x3,5]C[5,6]H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5]H)(C[3,5,6]I[8x3,5]C[5,6]H){1|C<3>,1|P<4>,2|H<1>,5|C<4>}	70.7127	0.000	1	70.7127	0.000	1	70.7127	0.000	1	70.7127	0.000	1	70.7127	0.000	1	71.2314	0.538	2
486	346	951	0:SP3_SP-NON_SPD9	C[3,3,6]	I[8x3,5]	H	9:3:4:1:	4:3:4:4:4:4:4:4:4:	4:	I[8x3,5]-9:C[3,3,6]-3:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,3,6]-4:	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	H(C[3,3,6]C[3,3,6]C[3,5,6]I[8x3,5])	C[3,3,6](I[8x3,5]C[3,3,5]5C[3,3,6]C[3,5,6]2)(C[3,3,6]C[3,5,6]I[8x3,5])(C[3,5,6]I[8x3,5]C[5,6]H)(H){1|H<1>,1|O<1>,6|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	H(C[3,3,6]C[3,3,6]C[3,5,6]I[8x3,5])	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	119.4557	9.435	3
486	346	951	0:SP3_SP-NON_SPD9	C[3,5,6]	I[8x3,5]	H	9:3:4:1:	4:3:4:4:4:4:4:4:4:	4:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,5,6]-4:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	H(C[3,5,6]C[3,3,6]I[8x3,5]C[5,6])	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	H(C[3,5,6]C[3,3,6]I[8x3,5]C[5,6])	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	119.5960	18.752	2	119.4557	9.435	3
486	346	951	0:SP3_SP-NON_SPD9	C[3,5,6]	I[8x3,5]	H	9:4:3:1:	4:3:4:4:4:4:4:4:4:	4:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	C[3,3,6]-4:C[3,3,6]-3:C[3,5,6]-4:C[3,5,6]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:	C[3,5,6]-4:	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5	H(C[3,5,6]C[3,3,6]I[8x3,5]C[5,6])	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	I[8x3,5](C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,3,6]C[3,3,6]C[3,5,6])(C[3,5,6]C[3,3,6]C[5,6]H)2(C[3,3,5]C[3,3,5]2C)5{1|H<1>,1|O<1>,1|P<4>}	H(C[3,5,6]C[3,3,6]I[8x3,5]C[5,6])	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	119.5960	18.752	2	119.4557	9.435	3
486	362	362	3:SP3_SPD6_SPD6	C[3]	C[3x3]	C[3x3]	6:6:1:1:	6:4:2:2:4:1:	6:4:2:2:4:1:	C[3x3]-6:C[3x3]-6:H-1:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	55.3269	0.000	1	55.3269	0.000	1	55.3269	0.000	1	55.3269	0.000	1	55.3269	0.000	1	55.3269	0.000	1
486	362	486	6:SP3_SP3_SPD6	C[3,6,6]	C[5x3,5x5,22x6]	C[3,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:1:	C[5x3,5x5,22x6]-6:C[3,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,6,6]-4:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:H-1:	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H)	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H){1|C<4>,2|C<6>,5|B<6>,6|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H){1|B<6>,3|C<4>,7|H<1>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H){2|C<6>,2|H<1>,8|B<6>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	123.1485	0.493	2	123.1485	0.493	2
486	362	486	6:SP3_SP3_SPD6	C[3,6,6]	C[5x3,5x5,22x6]	C[3,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:4:	C[5x3,5x5,22x6]-6:C[3,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,6,6]-4:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:C-4:	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3)	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H){1|C<4>,2|C<6>,5|B<6>,6|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H){1|B<6>,3|C<4>,7|H<1>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3){2|C<6>,2|H<1>,8|B<6>}	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	123.1485	0.493	2	123.1485	0.493	2
486	362	778	0:SP3_SPD5_SPD6	C[3x3]	C[3x3]	C[3,3]	7:6:5:2:	7:4:3:5:1:1:	7:4:2:1:1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	132.9880	0.000	1	132.9880	0.000	1	132.9880	0.000	1	132.9880	0.000	1	132.9880	0.000	1	132.9880	0.000	1
486	362	863	0:SP3_SP2_SPD6	C[3,3]	C[3,3]	O	6:3:2:1:	4:3:2:1:1:1:	4:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	O(C[3,3]C[3,3]H[3]N[3])	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	O(C[3,3]C[3,3]H[3]N[3])	140.2090	0.000	1	140.2090	0.000	1	140.2090	0.000	1	140.2090	0.000	1	140.2090	0.000	1	140.2090	0.000	1
486	362	902	0:SP3_SP2_SPD6	C[3x3]	C[3,3]	C[3]	6:3:3:2:	4:3:4:2:1:1:	3:4:4:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-3:C[3x3]-4:C-4:	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2C[3])(CCHH)	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2C[3])(CCHH){1|C<4>,2|C<1>}	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1
486	362	902	3:SP3_SP2_SPD6	C[3x3]	C[3,3]	C[3,3]	6:3:3:2:	4:3:4:2:1:1:	6:4:3:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[3x3]-4:C[3]-3:	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C)	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C){1|C<3>,1|C<4>,1|H<1>}	65.7182	0.000	1	65.7182	0.000	1	65.7182	0.000	1	65.7182	0.000	1	65.7182	0.000	1	65.7182	0.000	1
486	362	951	0:SP3_SP-NON_SPD6	C[3,6,6]	C[5x3,5x5,22x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,5x5,22x6]-6:C[3,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,6,6]-4:	C[3,6,6]-4:	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H)	H(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]2)	C[3,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(H){1|C<4>,2|C<6>,5|B<6>,6|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3,6,6]C[3,5,6,6]2H){1|B<6>,3|C<4>,7|H<1>}	H(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]2)	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	117.2878	4.897	5
486	362	951	0:SP3_SP-NON_SPD6	C[3]	C[3x3]	H	6:6:1:1:	6:4:2:2:4:1:	4:	C[3x3]-6:C[3x3]-6:H-1:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3]-4:	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3]C[3x3]2H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3]C[3x3]2H)	118.2745	0.196	4	118.2745	0.038	4	118.2745	0.038	4	118.2745	0.038	4	118.2745	0.038	4	117.2878	4.897	5
486	362	968	0:SP3_SP-NON_SPD6	C[3,3]	C[3,3]	H[3]	6:3:2:1:	4:3:2:1:1:1:	6:4:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	58.4308	0.000	1	58.4308	0.000	1	58.4308	0.000	1	58.4308	0.000	1	58.4308	0.000	1	106.5849	4637.635	2
486	362	968	0:SP3_SP-NON_SPD6	C[3x3]	C[3x3]	H[3]	7:6:5:2:	7:4:3:5:1:1:	4:5:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3]-4:C[3,3]-5:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	154.7390	0.000	1	154.7390	0.000	1	154.7390	0.000	1	154.7390	0.000	1	154.7390	0.000	1	106.5849	4637.635	2
486	374	643	0:SP3_SP2_SP3	C[3]	O[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	B[3,5]-4:B[5]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H)	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H)	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,2|F<1>,6|C<3>}	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H){1|C<4>,1|P<4>,2|H<1>,8|C<3>}	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2{1|B<4>,1|C<4>,2|C<3>,2|F<1>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1
486	374	654	3:SP3_SP3_SP3	C[3]	O[3,5]	B[3,5]	4:3:3:1:	4:4:4:	4:4:3:3:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	B[3,5]-4:B[5]-4:C[3]-4:	C[5,5]-4:C[3]-4:O[3,5]-3:C[6a]-3:	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H)	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H)	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2)	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,2|F<1>,6|C<3>}	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H){1|C<4>,1|P<4>,2|H<1>,8|C<3>}	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|F<1>,8|C<3>}	61.8732	0.000	1	61.8732	0.000	1	61.8732	0.000	1	61.8732	0.000	1	61.8732	0.000	1	61.8732	0.000	1
486	374	778	0:SP3_SP3_SPD5	C[3x3]	O[3]	C[3,3]	5:3:3:2:	3:4:4:	4:3:2:2:1:	C[3,3]-5:C[3,3]-3:O[3]-3:H[3]-2:	C[3,3]-3:C[3x3]-4:C-4:	C[3x3]-4:C[3,3]-3:H[3]-2:O-2:H-1:	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH)	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]O[3])(H[3]C[3x3])(OC)(H)	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH){1|H<1>,1|O<2>}	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]O[3])(H[3]C[3x3])(OC)(H){1|C<4>}	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1
486	374	902	3:SP3_SP2_SP3	C[3x3]	O[3]	C[3,3]	5:3:3:2:	3:4:4:	4:5:3:	C[3,3]-5:C[3,3]-3:O[3]-3:H[3]-2:	C[3,3]-3:C[3x3]-4:C-4:	C[3x3]-4:C[3,3]-5:O[3]-3:	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH)	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]H[3]HO)(O[3]C[3x3]C)	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH){1|H<1>,1|O<2>}	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]H[3]HO)(O[3]C[3x3]C)	57.2098	0.000	1	57.2098	0.000	1	57.2098	0.000	1	57.2098	0.000	1	57.2098	0.000	1	57.2098	0.000	1
486	374	930	0:SP3_SP2_SP3	C[3]	O[3]	C	3:2:3:1:	4:2:4:	4:2:1:	O[3]-3:H[3]-2:C-3:H-1:	C[3]-4:H[3]-2:C-4:	C[3]-4:O-2:H-1:	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	C(C[3]H[3]O[3]H)(OC[6])(H)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	C(C[3]H[3]O[3]H)(OC[6])(H)	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1
486	374	951	0:SP3_SP-NON_SP3	C[3]	O[3,5]	H	4:3:3:1:	4:4:4:	4:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	B[3,5]-4:B[5]-4:C[3]-4:	C[3]-4:	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H)	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H)	H(C[3]B[3,5]O[3,5]C[6a])	C[3](B[3,5]C[5,5]O[3,5]C[6a])(O[3,5]B[3,5]B[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,2|F<1>,6|C<3>}	O[3,5](B[3,5]C[5,5]C[6a]C[3])(B[5]C[5,5]C[6a]2)(C[3]B[3,5]C[6a]H){1|C<4>,1|P<4>,2|H<1>,8|C<3>}	H(C[3]B[3,5]O[3,5]C[6a])	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	112.9595	1.420	2
486	374	951	0:SP3_SP-NON_SP3	C[3]	O[3]	H	3:2:3:1:	4:2:4:	4:	O[3]-3:H[3]-2:C-3:H-1:	C[3]-4:H[3]-2:C-4:	C[3]-4:	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	H(C[3]H[3]O[3]C)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	H(C[3]H[3]O[3]C)	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.9595	1.420	2
486	374	968	0:SP3_SP-NON_SP3	C[3]	O[3]	H[3]	3:2:3:1:	4:2:4:	4:3:	O[3]-3:H[3]-2:C-3:H-1:	C[3]-4:H[3]-2:C-4:	C[3]-4:O[3]-3:	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	H[3](C[3]O[3]CH)(O[3]C[3]C)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	H[3](C[3]O[3]CH)(O[3]C[3]C)	48.3370	0.000	1	48.3370	0.000	1	48.3370	0.000	1	48.3370	0.000	1	48.3370	0.000	1	93.6380	4104.361	2
486	374	968	0:SP3_SP-NON_SP3	C[3x3]	O[3]	H[3]	5:3:3:2:	3:4:4:	5:4:	C[3,3]-5:C[3,3]-3:O[3]-3:H[3]-2:	C[3,3]-3:C[3x3]-4:C-4:	C[3,3]-5:C[3x3]-4:	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH)	H[3](C[3,3]C[3,3]C[3x3]HO)(C[3x3]C[3,3]2O[3])	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	O[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2H[3])(CC[3]HH){1|H<1>,1|O<2>}	H[3](C[3,3]C[3,3]C[3x3]HO)(C[3x3]C[3,3]2O[3])	138.9390	0.000	1	138.9390	0.000	1	138.9390	0.000	1	138.9390	0.000	1	138.9390	0.000	1	93.6380	4104.361	2
486	398	398	0:SP3_SP-NON_SP-NON	C[3,3x4]	H[3,3,4]	H[3,3,4]	6:3:3:5:	4:5:3:	4:5:3:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[3,3x4]-4:C[3,4,4]-5:H[3,3,4]-3:	C[3,3x4]-4:C[3,4,4]-5:H[3,3,4]-3:	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	41.4723	0.000	1	41.4723	0.000	1	41.4723	0.000	1	41.4723	0.000	1	41.4723	0.000	1	38.4282	18.533	2
486	398	398	0:SP3_SP-NON_SP-NON	C[3,4,4,6]	H[3,3,4]	H[3,3,4]	4:3:3:3:	4:3:3:	4:3:3:	C[4,4,3x6]-4:H[3,3,4]-3:H[3,3,4]-3:C[6]-3:	C[3,4,4,6]-4:C[3,4,4]-3:H[3,3,4]-3:	C[3,4,4,6]-4:C[3,4,4]-3:H[3,3,4]-3:	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C)	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	35.3841	0.000	1	35.3841	0.000	1	35.3841	0.000	1	35.3841	0.000	1	35.3841	0.000	1	38.4282	18.533	2
486	398	426	0:SP3_SP-NON_SPD6	C[3,3x4]	H[3,3,4]	C[5x4]	6:3:3:5:	4:5:3:	5:4:5:4:4:3:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[3,3x4]-4:C[3,4,4]-5:H[3,3,4]-3:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	101.1966	15.174	2	101.1966	230.240	2	101.1966	230.240	2	101.1966	230.240	2	101.1966	230.240	2	101.1966	230.240	2
486	398	478	0:SP3_SP-NON_SP3	C[3,4,4,6]	H[3,3,4]	C[4,4,3x6]	4:3:3:3:	4:3:3:	4:4:3:3:	C[4,4,3x6]-4:H[3,3,4]-3:H[3,3,4]-3:C[6]-3:	C[3,4,4,6]-4:C[3,4,4]-3:H[3,3,4]-3:	C[3,4,4,6]-4:C[4,4,3x6]-4:C[3,4,4]-3:C[6,6]-3:	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C)	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	C[4,4,3x6](C[3,4,4,6]H[3,3,4]2C[6])(C[4,4,3x6]C[3x4,6]2C[6])(C[3,4,4]H[3,3,4]2)(C[6,6]C[6,6]H)	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	C[4,4,3x6](C[3,4,4,6]H[3,3,4]2C[6])(C[4,4,3x6]C[3x4,6]2C[6])(C[3,4,4]H[3,3,4]2)(C[6,6]C[6,6]H){1|C<4>,1|H<2>,2|C<3>,3|H<1>}	108.8368	24.977	2	108.8368	623.836	2	108.8368	623.836	2	108.8368	623.836	2	108.8368	623.836	2	108.8368	623.836	2
486	398	762	0:SP3_SP-NON_SP2	C[3,4,4,6]	H[3,3,4]	C[6]	4:3:3:3:	4:3:3:	4:3:3:	C[4,4,3x6]-4:H[3,3,4]-3:H[3,3,4]-3:C[6]-3:	C[3,4,4,6]-4:C[3,4,4]-3:H[3,3,4]-3:	C[3,4,4,6]-4:C[6]-3:C-3:	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C)	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C)	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	H[3,3,4](C[3,4,4,6]C[4,4,3x6]H[3,3,4]C[6])(C[3,4,4]C[4,4,3x6]H[3,3,4])(H[3,3,4]C[3,4,4,6]C[3,4,4])	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	144.1070	24.879	2	144.1070	618.957	2	144.1070	618.957	2	144.1070	618.957	2	144.1070	618.957	2	144.1070	618.957	2
486	398	794	0:SP3_SP-NON_SPD5	C[3,3x4]	H[3,3,4]	C[4,4]	6:3:3:5:	4:5:3:	5:4:2:1:1:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[3,3x4]-4:C[3,4,4]-5:H[3,3,4]-3:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	H[3,3,4](C[3,3x4]H[3,3,4]C[4,4]C[5x4])(C[3,4,4]H[3,3,4]C[5x4]HH)(H[3,3,4]C[3,3x4]C[3,4,4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	141.9760	28.489	2	141.9760	811.642	2	141.9760	811.642	2	141.9760	811.642	2	141.9760	811.642	2	133.6990	611.347	3
486	398	794	0:SP3_SP-NON_SPD5	C[3,4x4,5]	H[3,4,4,5]	C[4,4,5]	7:4:3:5:	6:4:2:	5:4:2:1:1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	133.6990	611.347	3
486	398	920	0:SP3_SP-NON_SP3	C[3,4x4,5]	H[3,4,4,5]	O[4x3,4,4]	7:4:3:5:	6:4:2:	6:5:7:4:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1
486	426	794	4:SP3_SPD5_SPD6	C[3,3x4]	C[5x4]	C[4,4]	6:3:3:5:	5:4:5:4:4:3:	5:4:2:1:1:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	68.5125	0.000	1	68.5125	0.000	1	68.5125	0.000	1	68.5125	0.000	1	68.5125	0.000	1	68.5125	0.000	1
486	442	442	3:SP3_SPD5_SPD5	C[3,5]	B[3,3]	B[3,3]	5:5:3:4:	4:5:3:3:2:	4:5:3:3:2:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	73.8661	0.000	1	73.8661	0.000	1	73.8661	0.000	1	73.8661	0.000	1	73.8661	0.000	1	72.9906	6.828	3
486	442	442	3:SP3_SPD5_SPD5	C[3]	B[3,3]	B[3,3]	5:5:4:1:	5:4:3:3:2:	5:4:3:3:2:	B[3,3]-5:B[3,3]-5:C-4:H-1:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H)	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H){8|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	75.0534	0.000	1	75.0534	0.000	1	75.0534	0.000	1	75.0534	0.000	1	72.5529	12.506	2	72.9906	6.828	3
486	442	442	3:SP3_SPD5_SPD5	C[3]	B[3,3]	B[3,3]	5:5:4:4:	5:4:2:1:1:	5:4:2:1:1:	B[3,3]-5:B[3,3]-5:P-4:P-4:	B[3,3]-5:C[3]-4:H[3]-2:H-1:H-1:	B[3,3]-5:C[3]-4:H[3]-2:H-1:H-1:	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	70.0523	0.000	1	70.0523	0.000	1	70.0523	0.000	1	70.0523	0.000	1	72.5529	12.506	2	72.9906	6.828	3
486	442	442	6:SP3_SPD5_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	B[3x3,5,5,7x6]	5:5:6:1:	6:6:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<3>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<3>,3|H<1>}	119.0800	0.000	1	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2
486	442	442	6:SP3_SPD5_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	B[3x3,5,5,7x6]	5:5:6:1:	6:6:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<4>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<4>,3|H<1>}	119.5820	0.000	1	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2	119.3310	0.126	2
486	442	466	0:SP3_SP3_SPD5	C[3,4,4x6]	B[3x3,5,6x6]	C[6]	6:5:4:4:	6:6:5:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[3x3,5,5,8x6]-5:C[3,4,4x6]-4:H-1:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	117.5000	0.073	4	117.5000	0.005	4	117.5000	0.005	4	117.5000	0.005	4	117.5000	0.005	4	117.5000	0.005	4
486	442	474	0:SP3_SP3_SPD5	C[3,3x5,3x6]	B[3x3,5,5,6x6]	C[5]	6:5:4:4:	6:6:7:4:1:	4:4:1:1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,5,5,8x6]-6:B[4x3,3x5,11x6]-6:B[4x3,4x5,14x6]-7:C[3,3x5,3x6]-4:H-1:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H){1|H<2>,2|B<6>,2|C<4>,6|H<1>}	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	127.6960	0.341	2	127.6960	0.116	2	127.6960	0.116	2	127.6960	0.116	2	127.6960	0.116	2	123.7720	19.895	5
486	442	474	0:SP3_SP3_SPD5	C[3,4,5,3x6]	B[3x3,5,6x6]	C[5]	6:5:4:4:	6:6:6:4:1:	4:4:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[3x3,5,5,8x6]-6:C[3,4,5,3x6]-4:H-1:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H){2|B<6>,2|C<4>,6|H<1>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.7720	19.895	5
486	442	474	0:SP3_SP3_SPD5	C[3,5]	B[3,3]	C[5]	5:5:3:4:	4:5:3:3:2:	4:4:1:1:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	119.8285	4.191	2	119.8285	17.565	2	119.8285	17.565	2	119.8285	17.565	2	119.8285	17.565	2	123.7720	19.895	5
486	442	474	5:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3x5,6,6]	4:5:4:4:	4:4:4:4:3:	4:4:4:3:	C[3x5,6,6]-4:B[3x3,5]-5:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	C[3x5,6,6]-4:C[3,5,6]-4:C[5,5,6]-4:C[5]-3:	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|O<1>,4|C<4>,4|H<1>}	107.5695	0.127	2	107.5695	0.016	2	107.5695	0.016	2	107.5695	0.016	2	107.5695	0.016	2	107.5695	0.016	2
486	442	486	0:SP3_SP3_SPD5	C[3x3,5]	B[3,3]	C[3,3,5]	13:4:4:5:	13:4:2:3:3:	13:4:4:1:	Nb[12x3]-13:C[3,3,5]-4:C[3,3,5]-4:B[3,3]-5:	Nb[12x3]-13:C[3x3,5]-4:H[3]-2:C[6a]-3:C[6a]-3:	Nb[12x3]-13:C[3x3,5]-4:C[3,3,5]-4:H-1:	C[3x3,5](Nb[12x3]C[3,3,5]9B[3,3]C[6a]H[3])(C[3,3,5]C[3,3,5]Nb[12x3]H)2(B[3,3]Nb[12x3]C[6a]2H[3])	B[3,3](Nb[12x3]C[3,3,5]9C[3x3,5]C[6a]H[3])(C[3x3,5]C[3,3,5]2Nb[12x3])(H[3]Nb[12x3])(C[6a]C[6a]2)2	C[3,3,5](Nb[12x3]C[3,3,5]8C[3x3,5]B[3,3]C[6a]H[3])(C[3x3,5]C[3,3,5]Nb[12x3]B[3,3])(C[3,3,5]C[3,3,5]Nb[12x3]H)(H)	C[3x3,5](Nb[12x3]C[3,3,5]9B[3,3]C[6a]H[3])(C[3,3,5]C[3,3,5]Nb[12x3]H)2(B[3,3]Nb[12x3]C[6a]2H[3]){6|C<3>,7|H<1>}	B[3,3](Nb[12x3]C[3,3,5]9C[3x3,5]C[6a]H[3])(C[3x3,5]C[3,3,5]2Nb[12x3])(H[3]Nb[12x3])(C[6a]C[6a]2)2{4|F<1>,6|C<3>,9|H<1>}	C[3,3,5](Nb[12x3]C[3,3,5]8C[3x3,5]B[3,3]C[6a]H[3])(C[3x3,5]C[3,3,5]Nb[12x3]B[3,3])(C[3,3,5]C[3,3,5]Nb[12x3]H)(H){4|C<3>,7|H<1>}	122.2805	7.066	2	122.2805	49.930	2	122.2805	49.930	2	122.2805	49.930	2	122.2805	49.930	2	122.2805	49.930	2
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:1:	4:4:4:4:3:	5:4:4:4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	68.3173	0.000	1	68.3173	0.000	1	68.3173	0.000	1	68.3173	0.000	1	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:3:	4:4:4:4:3:	5:4:4:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	67.6007	0.296	2	67.6007	0.088	2	67.6007	0.088	2	67.6007	0.088	2	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:3:	4:4:4:4:3:	5:4:4:4:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	68.4701	0.000	1	68.4701	0.000	1	68.4701	0.000	1	68.4701	0.000	1	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:4:	4:4:4:4:3:	5:4:4:1:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	65.8802	0.000	1	65.8802	0.000	1	65.8802	0.000	1	65.8802	0.000	1	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:4:	4:4:4:4:3:	5:4:4:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	66.1263	0.000	1	66.1263	0.000	1	66.1263	0.000	1	66.1263	0.000	1	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,3,6]	5:4:4:4:	4:4:4:4:3:	5:4:4:4:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3){3|C<3>,3|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3){3|C<3>,3|C<4>}	68.6805	0.239	2	68.6805	0.057	2	68.6805	0.057	2	68.6805	0.057	2	67.6695	1.263	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:1:	4:4:4:4:3:	5:4:3:4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,1|C<4>,3|C<3>}	60.1434	0.000	1	60.1434	0.000	1	60.1434	0.000	1	60.1434	0.000	1	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:3:	4:4:4:4:3:	5:4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	57.6320	0.061	2	57.6320	0.004	2	57.6320	0.004	2	57.8325	0.123	3	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:3:	4:4:4:4:3:	5:4:3:3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	58.2337	0.000	1	58.2337	0.000	1	58.2337	0.000	1	57.8325	0.123	3	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:4:	4:4:4:4:3:	4:5:4:4:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	C[3x5,6,6]-4:B[3x3,5]-5:C[3,3,6]-4:C-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3){3|C<3>,3|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	54.6371	0.226	2	54.6371	0.051	2	54.6371	0.051	2	54.6371	0.051	2	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:4:	4:4:4:4:3:	5:4:3:4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,1|B<3>,1|H<1>,4|C<3>}	59.2551	0.000	1	59.2551	0.000	1	59.2551	0.000	1	58.8607	0.311	2	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C[3,5,6]	5:4:4:4:	4:4:4:4:3:	5:4:3:4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	58.4664	0.000	1	58.4664	0.000	1	58.4664	0.000	1	58.8607	0.311	2	57.5796	3.996	8	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	4:5:4:4:	4:4:4:4:3:	5:4:4:4:	C[3x5,6,6]-4:B[3x3,5]-5:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C-4:	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3)	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3){3|C<3>,3|C<4>}	75.2053	0.000	1	75.2053	0.000	1	75.2053	0.000	1	75.2053	0.000	1	70.2449	6.327	7	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	5:4:3:3:	4:4:4:4:3:	5:4:4:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	70.5789	0.067	2	70.5789	0.005	2	70.5789	0.005	2	70.0609	0.807	3	70.2449	6.327	7	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	5:4:3:3:	4:4:4:4:3:	5:4:4:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	69.0250	0.000	1	69.0250	0.000	1	69.0250	0.000	1	70.0609	0.807	3	70.2449	6.327	7	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	5:4:3:4:	4:4:4:4:3:	5:4:4:1:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,1|C<4>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	67.2950	0.000	1	67.2950	0.000	1	67.2950	0.000	1	67.2950	0.000	1	70.2449	6.327	7	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	5:4:3:4:	4:4:4:4:3:	5:4:4:4:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	70.4841	0.000	1	70.4841	0.000	1	70.4841	0.000	1	69.5155	1.877	2	70.2449	6.327	7	64.9438	34.763	23
486	442	486	3:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C[3,3,6]	5:4:3:4:	4:4:4:4:3:	5:4:4:4:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,1|B<3>,1|H<1>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	68.5468	0.000	1	68.5468	0.000	1	68.5468	0.000	1	69.5155	1.877	2	70.2449	6.327	7	64.9438	34.763	23
486	442	486	5:SP3_SP3_SPD5	C[3,3x5,3x6]	B[3x3,5,5,6x6]	C[3,3x5,3x6]	6:5:4:4:	6:6:7:4:1:	6:5:4:4:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,5,5,8x6]-6:B[4x3,3x5,11x6]-6:B[4x3,4x5,14x6]-7:C[3,3x5,3x6]-4:H-1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H){1|H<2>,2|B<6>,2|C<4>,6|H<1>}	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1
486	442	486	6:SP3_SP3_SPD5	C[3,3x5,3x6]	B[3x3,5,5,6x6]	C[3,3x5,3x6]	6:5:4:4:	6:6:7:4:1:	6:5:4:4:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,5,5,8x6]-6:B[4x3,3x5,11x6]-6:B[4x3,4x5,14x6]-7:C[3,3x5,3x6]-4:H-1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H){1|H<2>,2|B<6>,2|C<4>,6|H<1>}	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	124.7766	34.593	8
486	442	486	6:SP3_SP3_SPD5	C[3,4,3x6]	B[3x3,5,6x6]	C[3,4,3x6]	6:5:4:4:	6:6:6:4:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[4x3,5,5,8x6]-6:C[3,4,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H){1|B<5>,1|B<6>,1|C<4>,4|H<1>}	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	127.9130	0.218	2	127.9130	0.047	2	127.9130	0.047	2	127.9130	0.047	2	127.9130	0.047	2	124.7766	34.593	8
486	442	486	6:SP3_SP3_SPD5	C[3,4,4x6]	B[3x3,5,6x6]	C[3,4,4x6]	6:5:4:4:	6:6:5:4:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[3x3,5,5,8x6]-5:C[3,4,4x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,6|H<1>}	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	125.9815	0.602	4	125.9815	0.363	4	125.9815	0.363	4	125.9815	0.363	4	125.9815	0.363	4	124.7766	34.593	8
486	442	486	6:SP3_SP3_SPD5	C[3,4,5,3x6]	B[3x3,5,6x6]	C[3,4,5,3x6]	6:5:4:4:	6:6:6:4:1:	6:6:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[3x3,5,5,8x6]-6:C[3,4,5,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:C[5]-4:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H){2|B<6>,2|C<4>,6|H<1>}	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){3|B<6>,9|H<1>}	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	124.7766	34.593	8
486	442	490	0:SP3_SP3_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	C	6:5:5:4:	6:6:5:4:1:	4:1:1:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:H-1:H-1:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H){1|B<6>,1|C<4>,1|H<2>,3|H<1>}	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	125.1890	0.000	1	125.1890	0.000	1	125.1890	0.000	1	125.1890	0.000	1	125.1890	0.000	1	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,3,5,6]	B[3x3,5,5,6,6]	C	6:5:4:4:	6:6:6:4:1:	4:3:1:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,6]-6:B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6]-4:C[6a]-3:H-1:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H)	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H){1|B<5>,1|C<4>,5|H<1>}	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	119.6860	1.554	2	119.6860	2.416	2	119.6860	2.416	2	119.6860	2.416	2	119.6860	2.416	2	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C	5:4:4:4:	4:4:4:4:3:	4:1:1:1:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,3,6]-4:H-1:H-1:H-1:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(H)3	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]C[3x5,6,6]B[3x3,5]C)(C[3,3,6]B[3x3,5]C[3,5,6]C)(CH3){3|C<3>,3|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(H)3	137.5825	1.668	2	137.5825	2.782	2	137.5825	2.782	2	137.5825	2.782	2	135.0010	9.836	4	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C	5:4:4:4:	4:4:4:4:3:	4:4:1:1:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C-4:H-1:H-1:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]H)(C[3,5,6]B[3x3,5]C[5,6]Si)(CCHH){1|Si<4>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	132.2350	0.000	1	132.2350	0.000	1	132.2350	0.000	1	132.4195	0.068	2	135.0010	9.836	4	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,3,6]	B[3x3,5]	C	5:4:4:4:	4:4:4:4:3:	4:4:1:1:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C-4:H-1:H-1:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	132.6040	0.000	1	132.6040	0.000	1	132.6040	0.000	1	132.4195	0.068	2	135.0010	9.836	4	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,4,3x6]	B[3x3,5,6x6]	C	6:5:4:4:	6:6:5:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:C[3x3,5,5,8x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H){1|B<5>,1|B<6>,5|H<1>}	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	116.8220	1.539	3	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,4,3x6]	B[3x3,5,6x6]	C	6:5:4:4:	6:6:6:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[4x3,5,5,8x6]-6:C[3,4,3x6]-4:H-1:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H){1|B<5>,1|B<6>,1|C<4>,4|H<1>}	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	116.1175	0.316	2	116.1175	0.100	2	116.1175	0.100	2	116.1175	0.100	2	116.8220	1.539	3	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C	4:5:4:4:	4:4:4:4:3:	4:1:1:1:	C[3x5,6,6]-4:B[3x3,5]-5:C[3,3,6]-4:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3)	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C(C[3,5,6]C[3x5,6,6]B[3x3,5]C[3,3,6])(H)3	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C(C[3,5,6]C[3x5,6,6]B[3x3,5]C[3,3,6])(H)3	124.7200	1.024	2	124.7200	1.048	2	124.7200	1.048	2	124.7200	1.048	2	124.3687	0.894	3	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	C	5:4:3:4:	4:4:4:4:3:	4:4:1:1:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C-4:H-1:H-1:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	124.3687	0.894	3	124.7663	53.025	15
486	442	490	0:SP3_SP3_SPD5	C[3]	B[3,3]	C	5:5:4:1:	5:4:3:3:2:	4:4:1:1:	B[3,3]-5:B[3,3]-5:C-4:H-1:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	C[3]-4:P-4:H-1:H-1:	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H)	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H){8|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	121.6785	5.088	2	121.6785	25.884	2	121.6785	25.884	2	121.6785	25.884	2	121.6785	25.884	2	124.7663	53.025	15
486	442	643	0:SP3_SP2_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	C[6a]	6:5:5:3:	6:6:5:4:1:	4:3:3:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:C[6a]-3:C[6a]-3:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H)	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,5|H<1>}	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2{1|C<3>,2|B<5>,2|B<6>,5|H<1>}	126.1760	0.000	1	126.1760	0.000	1	126.1760	0.000	1	126.1760	0.000	1	126.1760	0.000	1	129.8521	35.042	7
486	442	643	0:SP3_SP2_SPD5	C[3,3,6]	B[3x3,5]	C[6a]	5:4:4:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	135.1905	2.432	2	135.1905	5.913	2	135.1905	5.913	2	135.4817	3.211	3	135.4817	3.211	3	129.8521	35.042	7
486	442	643	0:SP3_SP2_SPD5	C[3,3,6]	B[3x3,5]	C[6a]	5:4:4:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	136.0640	0.000	1	136.0640	0.000	1	136.0640	0.000	1	135.4817	3.211	3	135.4817	3.211	3	129.8521	35.042	7
486	442	643	0:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[6a]	5:4:3:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	123.0910	1.929	2	123.0910	3.721	2	123.0910	3.721	2	125.4480	18.527	3	125.4480	18.527	3	129.8521	35.042	7
486	442	643	0:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[6a]	5:4:3:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	130.1620	0.000	1	130.1620	0.000	1	130.1620	0.000	1	125.4480	18.527	3	125.4480	18.527	3	129.8521	35.042	7
486	442	654	3:SP3_SP3_SPD5	C[3,5]	B[3]	B[3,5]	4:5:3:1:	4:4:3:3:1:	5:4:3:4:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	B[3,5]-4:C[3,5]-4:C[6a]-3:C[6a]-3:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H)	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H)	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H){3|C<4>,3|H<1>,6|C<3>}	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H){1|H<1>,1|N<3>,2|C<4>,4|F<1>,6|C<3>}	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	71.0499	0.000	1	71.0499	0.000	1	71.0499	0.000	1	71.0499	0.000	1	71.0499	0.000	1	71.0499	0.000	1
486	442	654	5:SP3_SP3_SPD5	C[3,3,5,6]	B[3x3,5,5,6,6]	B[3,3,5,6]	6:5:4:4:	6:6:6:4:1:	6:6:4:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,6]-6:B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	B[5x3,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H)	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H)	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H){1|B<5>,1|C<4>,5|H<1>}	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H){1|C<4>,2|B<6>,4|H<1>}	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1
486	442	654	6:SP3_SP3_SPD5	C[3,3,5,6]	B[3x3,5,5,6,6]	B[3,3,5,6]	6:5:4:4:	6:6:6:4:1:	6:6:4:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,6]-6:B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	B[5x3,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H)	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H)	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H){1|B<5>,1|C<4>,5|H<1>}	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H){1|C<4>,2|B<6>,4|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	117.2060	22.579	2
486	442	654	6:SP3_SP3_SPD5	C[3,4,3x6]	B[3x3,5,6x6]	B[3,4,3x6]	6:5:4:4:	6:6:5:4:1:	6:5:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:C[3x3,5,5,8x6]-5:C[3,4,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H)	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H){1|B<5>,1|B<6>,5|H<1>}	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H){1|C<5>,2|B<6>,5|H<1>}	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	117.2060	22.579	2
486	442	727	0:SP3_SP2_SPD5	C[3,5]	B[3,3]	C[5,6a]	5:5:3:4:	4:5:3:3:2:	4:3:3:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	120.4975	7.178	2	120.4975	51.521	2	120.4975	51.521	2	120.4975	51.521	2	120.4975	51.521	2	120.4975	51.521	2
486	442	778	6:SP3_SPD5_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	C[3x3,5,5,7x6]	6:5:5:3:	6:6:5:4:1:	6:6:5:4:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H)	C[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,5|H<1>}	C[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,5|H<1>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	114.0875	0.187	2	114.0875	0.187	2
486	442	778	6:SP3_SPD5_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	C[3x3,5,5,7x6]	6:5:5:4:	6:6:5:4:1:	6:6:6:4:4:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-4:C-4:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H)	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H){1|B<6>,1|C<4>,1|H<2>,3|H<1>}	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,4|H<1>}	114.3930	0.000	1	114.3930	0.000	1	114.3930	0.000	1	114.3930	0.000	1	114.0875	0.187	2	114.0875	0.187	2
486	442	818	0:SP3_SP2_SPD5	C[3,5]	B[3]	C[5]	4:5:3:1:	4:4:3:3:1:	4:4:3:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	B[3,5]-4:C[3,5]-4:C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:N[6]-3:	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H)	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H)	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2)	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H){3|C<4>,3|H<1>,6|C<3>}	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H){1|H<1>,1|N<3>,2|C<4>,4|F<1>,6|C<3>}	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2){2|H<1>,3|C<3>,7|C<4>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1
486	442	818	5:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[5,6]	5:4:3:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	106.4070	0.208	2	106.4070	0.043	2	106.4070	0.043	2	106.3233	0.043	3	105.8963	0.692	6	105.8963	0.692	6
486	442	818	5:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[5,6]	5:4:3:3:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,8|C<3>}	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.3233	0.043	3	105.8963	0.692	6	105.8963	0.692	6
486	442	818	5:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[5,6]	5:4:3:4:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	105.4693	1.141	3	105.8963	0.692	6	105.8963	0.692	6
486	442	818	5:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[5,6]	5:4:3:4:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:B-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,1|C<4>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	105.4693	1.141	3	105.8963	0.692	6	105.8963	0.692	6
486	442	818	5:SP3_SP2_SPD5	C[3,5,6]	B[3x3,5]	C[5,6]	5:4:3:4:	4:4:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,1|B<3>,1|H<1>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,3|C<3>}	104.4170	0.000	1	104.4170	0.000	1	104.4170	0.000	1	105.4693	1.141	3	105.8963	0.692	6	105.8963	0.692	6
486	442	880	0:SP3_SP3_SPD5	C[3,3,5,5x6]	B[3x3,5,5,9x6]	Si	6:5:6:4:	6:6:5:4:3:	4:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC)	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC){1|B<6>,1|C<4>,4|H<1>}	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	94.9221	0.000	1	94.9221	0.000	1	94.9221	0.000	1	94.9221	0.000	1	94.9221	0.000	1	111.9797	226.261	3
486	442	880	0:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	Si	5:4:3:4:	4:4:4:4:3:	4:4:4:4:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C-4:C-4:C-4:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	Si(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)3	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,1|B<3>,1|H<1>,4|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	Si(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)3	123.3440	0.000	1	123.3440	0.000	1	120.5085	16.080	2	120.5085	16.080	2	120.5085	16.080	2	111.9797	226.261	3
486	442	880	0:SP3_SP3_SPD5	C[3,5,6]	B[3x3,5]	Si	5:4:3:4:	4:4:4:4:3:	4:4:4:4:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:Si-4:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C-4:C-4:C-4:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	Si(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)3	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]H)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,1|C<4>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	Si(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)3	117.6730	0.000	1	117.6730	0.000	1	120.5085	16.080	2	120.5085	16.080	2	120.5085	16.080	2	111.9797	226.261	3
486	442	951	0:SP3_SP-NON_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	H	5:5:6:1:	6:6:5:4:1:	4:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<3>,3|H<1>}	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	119.3640	0.088	2	119.2405	0.261	4	119.2405	0.261	4	119.2405	0.261	4	119.2405	0.261	4	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3,3,5,4x6]	B[3x3,5,5,7x6]	H	5:5:6:1:	6:6:5:4:1:	4:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<4>,3|H<1>}	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	119.1170	0.846	2	119.2405	0.261	4	119.2405	0.261	4	119.2405	0.261	4	119.2405	0.261	4	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3,3,5,5x6]	B[3x3,5,5,9x6]	H	6:5:6:1:	6:6:5:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	115.1060	0.000	1	115.1830	0.012	2	115.1830	0.012	2	115.1830	0.012	2	115.1830	0.012	2	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3,3,5,5x6]	B[3x3,5,5,9x6]	H	6:5:6:1:	6:6:5:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	115.2600	0.000	1	115.1830	0.012	2	115.1830	0.012	2	115.1830	0.012	2	115.1830	0.012	2	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3,3,6]	B[3x3,5]	H	5:4:4:1:	4:4:4:4:3:	4:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:H-1:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H)	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	H(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[3,5,6]B[3x3,5]C[5,6]Si)(H){1|Si<4>,1|B<3>,3|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	H(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])	130.3120	0.000	1	130.3120	0.000	1	130.3120	0.000	1	130.3120	0.000	1	130.3120	0.000	1	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3,5]	B[3]	H	4:5:3:1:	4:4:3:3:1:	4:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	B[3,5]-4:C[3,5]-4:C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H)	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H)	H(C[3,5]B[3,5]B[3]C[5])	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H){3|C<4>,3|H<1>,6|C<3>}	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H){1|H<1>,1|N<3>,2|C<4>,4|F<1>,6|C<3>}	H(C[3,5]B[3,5]B[3]C[5])	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.8072	29.466	10
486	442	951	0:SP3_SP-NON_SPD5	C[3]	B[3,3]	H	5:5:4:1:	5:4:3:3:2:	4:	B[3,3]-5:B[3,3]-5:C-4:H-1:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	C[3]-4:	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H)	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	H(C[3]B[3,3]2C)	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H){8|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	H(C[3]B[3,3]2C)	111.2490	0.013	2	111.2490	0.000	2	111.2490	0.000	2	111.2490	0.000	2	111.2490	0.000	2	117.8072	29.466	10
486	442	992	0:SP3_SP3_SPD5	C[3]	B[3,3]	P	5:5:4:4:	5:4:2:1:1:	4:3:3:2:	B[3,3]-5:B[3,3]-5:P-4:P-4:	B[3,3]-5:C[3]-4:H[3]-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:S-2:	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	115.9130	3.610	2	115.9130	13.036	2	115.9130	13.036	2	115.9130	13.036	2	115.9130	13.036	2	115.9130	13.036	2
486	466	466	0:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:3:4:	4:3:1:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,3x6]-4:C[6,6]-3:H-1:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	116.2763	0.129	3	116.2763	0.017	3	116.2763	0.017	3	116.2763	0.017	3	116.4792	0.176	4	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	116.4792	0.176	4	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.0332	1.765	5	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:2:4:	4:4:4:4:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	116.0332	1.765	5	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2{2|H<1>,7|C<4>}	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	116.0332	1.765	5	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	116.0332	1.765	5	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	116.0332	1.765	5	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:3:1:1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	115.4780	0.201	2	115.4780	0.040	2	115.4780	0.040	2	115.4780	0.040	2	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	116.2180	0.000	1	116.2180	0.000	1	115.6187	0.409	3	115.6187	0.409	3	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	114.9460	0.000	1	114.9460	0.000	1	115.6187	0.409	3	115.6187	0.409	3	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	115.6920	0.000	1	115.6920	0.000	1	115.6187	0.409	3	115.6187	0.409	3	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	114.1670	0.296	2	114.1670	0.087	2	114.1670	0.087	2	114.1670	0.087	2	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	114.1675	0.063	2	114.1675	0.004	2	114.1675	0.004	2	115.6730	2.072	8	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.4970	0.006	2	117.4970	0.000	2	117.4970	0.000	2	115.6730	2.072	8	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	115.8565	1.074	2	115.8565	1.154	2	115.5138	1.072	4	115.6730	2.072	8	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	115.1710	1.261	2	115.1710	1.591	2	115.5138	1.072	4	115.6730	2.072	8	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	115.7946	1.943	18	116.0057	1.568	29
486	466	466	0:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:3:4:1:	4:3:2:1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	116.8895	0.146	2	116.8895	0.021	2	116.8895	0.021	2	116.8895	0.021	2	116.8895	0.021	2	116.0057	1.568	29
486	466	466	6:SP3_SP3_SP3	C[3,3x6]	C[3x6]	C[6,6]	4:4:4:2:	4:4:3:4:	4:4:2:2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,3x6]-4:C[3x6]-3:N-4:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH){3|C<4>,3|O<2>,5|C<3>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,3x6]	C[4x6]	C[3x6]	4:4:4:4:	4:4:2:4:	4:4:2:1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:3:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[3]-3:N[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3]){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	113.0693	0.357	3	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:3:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:N[3]-3:N[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3x6]C[6,6]2H)2(N[3]N[3]Ru)(N[3]N[3])	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3x6]C[6,6]2H)2(N[3]N[3]Ru)(N[3]N[3]){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H){1|Ru<6>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H){1|Ru<6>,3|C<4>,3|H<1>}	113.2645	0.697	2	113.2645	0.485	2	113.2645	0.485	2	113.0693	0.357	3	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	111.7973	0.184	3	111.7973	0.034	3	111.7973	0.034	3	111.2905	1.050	4	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	Si[3,5]-4:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4: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])	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	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>}	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	111.2905	1.050	4	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	110.6420	0.214	2	110.6420	0.046	2	110.6420	0.046	2	110.6420	0.046	2	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,3]-4:C[3,3]-4:C[3x6]-4:C[3x6]-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2{4|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	108.7050	0.129	2	108.7050	0.017	2	108.7050	0.017	2	109.6363	2.610	3	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[3]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	109.6363	2.610	3	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3x6]	5:4:4:2:	4:4:4:1:	4:4:4:1:	Si[3,4]-5:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4])	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4]){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){1|Cl<1>,2|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){1|Cl<1>,2|N<3>,3|C<4>,3|H<1>}	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	111.1266	2.399	13	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3x6]	4:4:4:2:	4:4:2:2:	4:4:3:1:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	111.2867	4.328	3	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3x6]	4:4:4:2:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	110.0855	0.012	2	110.0855	0.000	2	110.0855	0.000	2	110.0855	0.000	2	111.2867	4.328	3	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:3:1:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:3:4:	4:3:4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	118.5147	0.414	4	118.5147	0.171	4	118.5147	0.171	4	118.5147	0.171	4	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:3:4:	4:4:3:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	115.6185	0.250	2	115.6185	0.062	2	115.6185	0.062	2	115.6185	0.062	2	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	118.8010	0.000	1	118.8010	0.000	1	119.4475	0.836	2	119.4475	0.836	2	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	120.0940	0.000	1	120.0940	0.000	1	119.4475	0.836	2	119.4475	0.836	2	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:3:3:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	116.5235	0.476	2	116.5235	0.226	2	116.5235	0.226	2	116.5235	0.226	2	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	117.4290	0.000	1	117.4290	0.000	1	117.4290	0.000	1	117.1280	0.079	3	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	116.9775	0.146	2	116.9775	0.021	2	116.9775	0.021	2	117.1280	0.079	3	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	119.8490	0.000	1	119.1918	0.362	5	119.1788	0.290	6	119.1788	0.290	6	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	118.8360	0.000	1	119.1918	0.362	5	119.1788	0.290	6	119.1788	0.290	6	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	119.0913	0.655	3	119.1918	0.362	5	119.1788	0.290	6	119.1788	0.290	6	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	119.1140	0.000	1	119.1140	0.000	1	119.1788	0.290	6	119.1788	0.290	6	117.8180	2.792	23	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:4:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.7025	0.428	2	115.7025	0.183	2	115.7025	0.183	2	115.9017	0.211	3	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:4:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	115.9017	0.211	3	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:2:3:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:3:2:	4:3:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	115.8640	0.000	1	115.8640	0.000	1	116.5035	0.818	2	116.5035	0.818	2	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	117.1430	0.000	1	117.1430	0.000	1	116.5035	0.818	2	116.5035	0.818	2	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:3:4:	4:3:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-3:O-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	116.0830	0.000	1	116.0830	0.000	1	115.9145	0.057	2	115.8067	0.063	3	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.7460	0.000	1	115.7460	0.000	1	115.9145	0.057	2	115.8067	0.063	3	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.5910	0.000	1	115.5910	0.000	1	115.5910	0.000	1	115.8067	0.063	3	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	114.0230	0.000	1	114.0230	0.000	1	113.4355	0.690	2	113.4355	0.690	2	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	112.8480	0.000	1	112.8480	0.000	1	113.4355	0.690	2	113.4355	0.690	2	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5a,6]-3:H-1:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,4|C<4>}	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	115.2660	0.000	1	115.2660	0.000	1	115.2660	0.000	1	116.6923	0.933	4	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	117.4080	0.000	1	117.1677	0.043	3	117.1677	0.043	3	116.6923	0.933	4	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	117.0475	0.004	2	117.1677	0.043	3	117.1677	0.043	3	116.6923	0.933	4	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	116.2250	0.000	1	116.2250	0.000	1	116.2250	0.000	1	116.2250	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	110.3662	0.683	4	110.5531	1.063	19	110.5531	1.063	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	112.4880	0.000	1	110.5531	1.063	19	110.5531	1.063	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.2860	0.000	1	110.5531	1.063	19	110.5531	1.063	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	110.6140	0.699	4	110.5531	1.063	19	110.5531	1.063	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	110.0904	0.610	9	110.5531	1.063	19	110.5531	1.063	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	114.2860	0.000	1	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	118.3440	0.000	1	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	118.0990	0.000	1	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	117.6577	0.577	3	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	117.5970	0.000	1	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	117.2085	0.565	12	117.2527	0.862	19	117.2527	0.862	19	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	112.1320	0.000	1	111.4265	0.995	2	111.4265	0.995	2	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	110.7210	0.000	1	111.4265	0.995	2	111.4265	0.995	2	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	113.8358	11.838	42	114.4458	9.581	63	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[3x6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	112.6415	0.176	2	112.6415	0.031	2	112.6415	0.031	2	112.6415	0.031	2	114.0905	4.207	6	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	114.0905	4.207	6	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	114.0905	4.207	6	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	114.2590	0.000	1	114.2590	0.000	1	113.2740	1.940	2	113.2740	1.940	2	114.0905	4.207	6	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	112.2890	0.000	1	112.2890	0.000	1	113.2740	1.940	2	113.2740	1.940	2	114.0905	4.207	6	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	3:5:4:4:	4:4:1:1:	4:4:1:1:	N[3]-3:Nb[3]-5:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C[3]-3:O[3]-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3]){1|N<3>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	113.3240	0.419	2	113.3240	0.175	2	113.3240	0.175	2	112.2430	2.558	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	112.2430	2.558	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3]){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	112.2430	2.558	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	P[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3])	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3]){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	111.4985	1.124	2	111.4985	1.262	2	111.2330	0.843	3	112.2430	2.558	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	P[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3])	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	110.7020	0.000	1	110.7020	0.000	1	111.2330	0.843	3	112.2430	2.558	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	113.4510	0.000	1	113.4510	0.000	1	112.7518	0.426	5	112.7518	0.426	5	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	112.3130	0.357	3	112.3130	0.128	3	112.7518	0.426	5	112.7518	0.426	5	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	113.3690	0.000	1	113.3690	0.000	1	112.7518	0.426	5	112.7518	0.426	5	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:3:1:	4:4:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:3:4:	4:4:4:3:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[3,6]-4:C[6]-4:C-4:C-3:	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	113.8100	0.000	1	113.8100	0.000	1	113.4350	0.281	2	112.2566	8.092	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	113.0600	0.000	1	113.0600	0.000	1	113.4350	0.281	2	112.2566	8.092	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	108.2070	0.471	2	110.4123	14.701	3	110.4123	14.701	3	112.2566	8.092	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	114.8230	0.000	1	110.4123	14.701	3	110.4123	14.701	3	112.2566	8.092	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	113.8445	0.920	2	113.8445	0.846	2	113.8445	0.846	2	112.2566	8.092	7	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:2:	7:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6](C[3]C[3]HH)2(C[6]O[6]HH)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2	C[3,6](C[3]C[3]HH)2(C[6]O[6]HH)2{1|C<4>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2{3|O<2>,6|H<1>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2{3|O<2>,6|H<1>}	110.8410	0.190	2	110.8410	0.036	2	110.8410	0.036	2	110.8410	0.036	2	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	113.2060	0.000	1	113.2060	0.000	1	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	114.6390	0.000	1	114.6390	0.000	1	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	112.3030	0.000	1	112.3030	0.000	1	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	113.1220	0.406	3	113.1220	0.165	3	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	113.7945	0.138	2	113.7945	0.019	2	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	112.9515	0.315	2	112.9515	0.099	2	113.3006	0.452	10	113.3006	0.452	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-3:H-1:	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	114.6510	0.310	2	114.6510	0.096	2	114.6510	0.096	2	114.6510	0.096	2	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	112.3300	0.000	1	112.3300	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	112.1290	0.311	2	112.1290	0.097	2	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	111.6620	0.000	1	111.6620	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	112.4260	0.000	1	112.4260	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	112.1655	0.360	2	112.1655	0.130	2	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	113.8160	0.000	1	113.8160	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	112.0590	0.000	1	112.0590	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	112.3080	0.000	1	112.3080	0.000	1	112.3190	0.344	10	112.3190	0.344	10	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.0874	0.649	5	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	111.8695	1.479	2	112.0225	0.837	4	112.0874	0.649	5	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	112.1755	0.482	2	112.0225	0.837	4	112.0874	0.649	5	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	112.8140	0.000	1	112.8140	0.000	1	113.3700	0.618	2	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	113.9260	0.000	1	113.9260	0.000	1	113.3700	0.618	2	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	114.7815	0.125	2	114.7815	0.016	2	114.7815	0.016	2	112.9711	1.751	9	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	112.1840	0.000	1	112.1840	0.000	1	112.6980	1.389	5	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	112.6157	1.532	3	112.6157	2.346	3	112.6980	1.389	5	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	113.4590	0.000	1	113.4590	0.000	1	112.6980	1.389	5	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	112.1190	0.000	1	112.1190	0.000	1	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	111.9000	0.000	1	111.9000	0.000	1	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	113.7195	1.087	2	113.3388	0.619	4	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	112.9580	0.310	2	113.3388	0.619	4	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	113.5880	0.000	1	113.5880	0.000	1	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	112.6520	0.127	2	112.7797	0.057	3	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	113.0350	0.000	1	112.7797	0.057	3	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	112.9920	0.000	1	112.9920	0.000	1	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	466	6:SP3_SP3_SP3	C[3,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	112.9237	0.127	3	112.9237	0.016	3	112.9331	0.377	14	112.8713	0.592	19	112.8484	2.327	78	113.8996	8.136	189
486	466	474	0:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[5]	4:4:4:4:	4:3:3:1:	4:3:1:1:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3,5,6,6]-4:N[5]-3:H-1:H-1:	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{4|C<3>,5|H<1>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	118.2820	1.978	4	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	117.5853	0.234	3	117.5853	0.055	3	117.5853	0.055	3	117.5853	0.055	3	118.2820	1.978	4	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:4:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:2:4:4:	4:3:1:1:	4:4:1:1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:2:4:4:	4:3:1:1:	4:4:2:1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	122.5320	0.339	2	122.5320	0.115	2	122.5320	0.115	2	122.5320	0.115	2	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:N[6,6]-3:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C-4:C-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	122.3060	0.219	2	121.3623	2.696	3	121.3623	2.696	3	121.3623	2.696	3	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	119.4750	0.000	1	121.3623	2.696	3	121.3623	2.696	3	121.3623	2.696	3	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	118.7060	0.000	1	118.7060	0.000	1	118.7060	0.000	1	117.7250	0.478	4	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.2910	0.286	2	117.2910	0.082	2	117.2910	0.082	2	117.7250	0.478	4	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	117.7250	0.478	4	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	118.0070	0.000	1	118.0070	0.000	1	117.8266	5.107	7	117.8266	5.107	7	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	117.8355	1.504	4	117.8355	2.263	4	117.8266	5.107	7	117.8266	5.107	7	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<4>}	117.7185	4.878	2	117.7185	23.798	2	117.8266	5.107	7	117.8266	5.107	7	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	119.8288	7.241	22	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	115.1555	6.428	6	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	115.1555	6.428	6	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	113.5440	0.000	1	113.5440	0.000	1	114.2313	1.387	3	114.2313	1.387	3	115.1555	6.428	6	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,5|H<1>}	114.5750	1.437	2	114.5750	2.065	2	114.2313	1.387	3	114.2313	1.387	3	115.1555	6.428	6	119.0605	9.384	36
486	466	474	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|H<1>}	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	115.1555	6.428	6	119.0605	9.384	36
486	466	474	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[5,4x6]	4:4:4:2:	4:4:1:1:	4:3:3:3:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:3:1:1:	4:3:4:4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH){1|Sn<4>,4|C<3>,5|H<1>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	116.9405	0.042	2	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:3:1:1:	4:3:4:4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,3|C<3>,6|H<1>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	116.9405	0.042	2	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:3:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,1|C<4>,2|C<3>,7|H<1>}	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.1068	0.197	6	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.3170	0.035	2	120.3170	0.001	2	120.3170	0.001	2	119.5556	0.743	5	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	118.9840	0.000	1	118.6725	0.194	2	119.0480	0.520	3	119.5556	0.743	5	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	118.3610	0.000	1	118.6725	0.194	2	119.0480	0.520	3	119.5556	0.743	5	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	119.7990	0.000	1	119.7990	0.000	1	119.0480	0.520	3	119.5556	0.743	5	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	120.2810	0.000	1	120.2810	0.000	1	120.5465	0.141	2	120.5465	0.141	2	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.8120	0.000	1	120.8120	0.000	1	120.5465	0.141	2	120.5465	0.141	2	119.3671	1.452	9	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:2:	4:2:1:1:	4:4:2:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[6]-2:H-1:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	114.0880	0.033	2	114.0880	0.001	2	114.0880	0.001	2	114.0880	0.001	2	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:2:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	118.4100	0.000	1	118.4100	0.000	1	118.4100	0.000	1	118.4100	0.000	1	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:3:4:4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5]){1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,9|H<1>}	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	119.3430	0.286	5	119.3430	0.082	5	118.9152	0.565	10	118.9152	0.565	10	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,8|H<1>}	119.9180	0.000	1	119.9180	0.000	1	118.9152	0.565	10	118.9152	0.565	10	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	118.1298	0.352	4	118.1298	0.124	4	118.9152	0.565	10	118.9152	0.565	10	117.2765	5.819	17	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1910	24.458	3	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	116.1420	0.000	1	116.1420	0.000	1	116.1420	0.000	1	116.1420	0.000	1	111.1910	24.458	3	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:3:2:	4:4:4:1:	C[6,6]-4:C[5,6,6]-4:C[3,6]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	111.1910	24.458	3	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:2:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	114.9940	7.334	2	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:4:	4:4:4:1:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,8|H<1>}	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	114.9940	7.334	2	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	111.7195	8.968	2	116.6894	11.125	40
486	466	474	6:SP3_SP3_SP3	C[3,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[3,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3)	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	111.7195	8.968	2	116.6894	11.125	40
486	466	478	0:SP3_SP3_SP3	C[3,3x6]	C[6]	C[4,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	C[4,6,6](C[3,3x6]C[3,6,6]N[3,6]C[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[3,3x6]C[3,6,6]N[3,6]C[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[3x6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:3:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[3x6]	C[3]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3,3x6]-4:C[3,6,6]-4:Br-1:H-1:	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H){1|O<1>,2|H<1>,2|O<2>,6|C<4>}	122.4530	0.000	1	122.4530	0.000	1	122.4530	0.000	1	122.4530	0.000	1	122.4530	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[4x6]	C[3]	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3,3x6]-4:C[3,6,6]-4:Br-1:H-1:	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H){1|O<1>,2|H<1>,2|O<2>,6|C<4>}	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:3:4:	4:4:4:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H){2|C<3>,3|C<4>,7|H<1>}	116.7873	0.641	3	116.7873	0.411	3	116.7873	0.411	3	116.7873	0.411	3	116.4283	0.790	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	116.4283	0.790	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	128.9730	0.000	1	128.9730	0.000	1	128.9730	0.000	1	128.9730	0.000	1	128.9730	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,3x6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.7590	0.000	1	127.7590	0.000	1	127.7590	0.000	1	127.4447	0.069	4	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.2680	0.000	1	127.2680	0.000	1	127.2680	0.000	1	127.4447	0.069	4	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.1930	0.000	1	127.1930	0.000	1	127.1930	0.000	1	127.4447	0.069	4	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.5590	0.000	1	127.5590	0.000	1	127.5590	0.000	1	127.4447	0.069	4	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	129.7980	0.000	1	129.7980	0.000	1	129.7980	0.000	1	129.2890	0.518	2	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,5,6,6]	C[6]	C[3,5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.7800	0.000	1	128.7800	0.000	1	128.7800	0.000	1	129.2890	0.518	2	128.0595	1.052	6	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[3,5]	4:4:4:4:	4:3:3:1:	4:4:3:3:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H){2|C<3>,3|C<4>,7|H<1>}	124.5403	0.116	3	124.5403	0.013	3	124.5403	0.013	3	124.5403	0.013	3	124.5403	0.013	3	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:3:4:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	126.0295	0.073	2	126.0295	0.005	2	126.0295	0.005	2	127.2516	1.358	5	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:3:4:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	127.8060	0.000	1	128.0663	0.224	3	128.0663	0.224	3	127.2516	1.358	5	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:3:4:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	128.6130	0.000	1	128.0663	0.224	3	128.0663	0.224	3	127.2516	1.358	5	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:3:4:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	127.7800	0.000	1	128.0663	0.224	3	128.0663	0.224	3	127.2516	1.358	5	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:4:1:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H)	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|C<4>}	129.6910	0.000	1	129.6910	0.000	1	129.6910	0.000	1	129.6910	0.000	1	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|H<1>,5|C<4>}	128.0880	0.000	1	128.0880	0.000	1	128.0880	0.000	1	128.0880	0.000	1	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:4:4:	4:2:4:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	128.5950	0.000	1	128.5950	0.000	1	128.5950	0.000	1	128.5950	0.000	1	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|C<4>}	128.2730	0.000	1	128.2730	0.000	1	128.2730	0.000	1	128.2730	0.000	1	127.8783	1.424	9	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3]	4:4:4:4:	4:4:3:4:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3](C[3,5,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[3](C[3,5,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{2|C<3>,4|C<4>,4|H<1>}	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	3:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-3:H-1:	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]CC)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	123.9880	0.561	2	123.9880	0.315	2	123.9880	0.315	2	123.9880	0.315	2	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,5,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:2:	4:2:1:1:	4:2:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[6]-2:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<4>,3|H<1>,3|O<2>}	132.9780	0.020	2	132.9780	0.000	2	132.9780	0.000	2	132.9780	0.000	2	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H){4|H<1>,6|C<4>}	130.3910	0.000	1	130.3910	0.000	1	130.3910	0.000	1	130.3910	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:2:	4:4:2:1:	4:2:4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:2:	4:4:4:1:	4:2:4:4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5]){1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	136.0050	0.000	1	136.0050	0.000	1	136.0050	0.000	1	136.0050	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	128.4330	0.000	1	128.4330	0.000	1	128.4330	0.000	1	128.4330	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,5,6]-4:C[3,5]-4:H-1:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H){2|C<4>,3|C<3>,7|H<1>}	124.0030	0.257	2	124.0030	0.066	2	124.0030	0.066	2	124.0030	0.066	2	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(CCCH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,4|H<1>}	129.4890	0.000	1	129.4890	0.000	1	129.4890	0.000	1	129.4890	0.000	1	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	120.2218	0.287	5	120.2218	0.082	5	121.5677	4.514	10	121.5677	4.514	10	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	123.9633	0.219	4	122.9136	5.545	5	121.5677	4.514	10	121.5677	4.514	10	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	118.7150	0.000	1	122.9136	5.545	5	121.5677	4.514	10	121.5677	4.514	10	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-4:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH){4|H<1>,5|C<4>}	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	125.3910	8.018	3	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	126.2900	3.345	2	126.2900	11.186	2	126.2900	11.186	2	125.3910	8.018	3	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H)	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H){1|C<3>,5|C<4>,8|H<1>}	123.7930	0.000	1	123.7930	0.000	1	123.7930	0.000	1	123.9052	1.091	5	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H){4|C<4>,6|H<1>}	123.9333	1.204	4	123.9333	1.449	4	123.9333	1.449	4	123.9052	1.091	5	124.7908	15.787	33	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	118.3590	11.597	2	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	118.3590	11.597	2	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	3:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C-4:C-3:	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.2710	0.000	1	124.2710	0.000	1	124.2710	0.000	1	124.2710	0.000	1	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2{4|C<4>,7|H<1>}	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	119.2317	1.472	6	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.5880	0.399	2	120.2740	0.375	3	120.2740	0.375	3	119.2317	1.472	6	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:H-1:H-1:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[5])(C[3,5,6]C[3,5,6]C[5]C[6])(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	119.6460	0.000	1	120.2740	0.375	3	120.2740	0.375	3	119.2317	1.472	6	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:Cl-1:Cl-1:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])(Cl)2{4|C<4>,7|H<1>}	117.9880	0.000	1	117.9880	0.000	1	117.9880	0.000	1	119.2317	1.472	6	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	119.2317	1.472	6	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	118.6230	0.358	5	118.6230	0.128	5	117.8475	0.759	10	117.8475	0.759	10	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	117.0095	0.274	4	117.0720	0.076	5	117.8475	0.759	10	117.8475	0.759	10	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	117.3220	0.000	1	117.0720	0.076	5	117.8475	0.759	10	117.8475	0.759	10	118.5976	3.431	18	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,5]	C[6]	C[3,5]	4:4:2:3:	4:4:4:2:	4:4:2:1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,3]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[3,3]-4:C[3,3]-4:C[3x6]-4:C[3x6]-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:C[3,3]-4:C-3:	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	C[3,3](C[3,6,6]C[3,3]C[3x6]2)2(C[3,3]C[3,6,6]2C)(COO)	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2{4|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[3,3](C[3,6,6]C[3,3]C[3x6]2)2(C[3,3]C[3,6,6]2C)(COO){4|H<1>,8|C<4>}	120.2330	5.344	8	120.2330	28.557	8	120.2330	28.557	8	120.2330	28.557	8	120.2330	28.557	8	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,5]	4:4:4:1:	4:3:3:1:	4:4:3:3:	C[3,5,6,6]-4:C[3,5]-4:C[3x6]-4:H-1:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H)	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:3:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	122.2352	0.579	4	122.2352	0.335	4	122.2352	0.335	4	122.2352	0.335	4	122.2352	0.335	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	3:4:4:2:	4:4:3:1:	4:2:1:1:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.6435	0.033	2	122.6435	0.001	2	122.6435	0.001	2	122.6435	0.001	2	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:3:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:3:3:4:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	124.3360	0.000	1	124.3360	0.000	1	124.3360	0.000	1	124.3360	0.000	1	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.7020	0.216	2	122.7547	0.032	3	122.7547	0.032	3	123.2942	1.079	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.8600	0.000	1	122.7547	0.032	3	122.7547	0.032	3	123.2942	1.079	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.1035	1.774	2	123.8337	1.792	3	123.8337	1.792	3	123.2942	1.079	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.2940	0.000	1	123.8337	1.792	3	123.8337	1.792	3	123.2942	1.079	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:3:4:2:	4:4:3:4:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|N<3>,1|O<1>,3|C<4>}	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	3:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:C-3:C-2:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN){2|C<3>,2|H<1>,2|N<3>}	121.6660	0.000	1	121.6660	0.000	1	123.1250	4.257	2	123.1250	4.257	2	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	3:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:C-3:C-2:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|N<3>,2|C<3>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN){2|C<3>,2|H<1>,2|N<3>}	124.5840	0.000	1	124.5840	0.000	1	123.1250	4.257	2	123.1250	4.257	2	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:C-4:H-1:	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CClHH)(H)	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CClHH)(H){2|H<1>,4|C<3>}	122.9990	0.687	2	122.9990	0.472	2	122.9990	0.472	2	122.9990	0.472	2	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(H)2	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	122.0010	0.535	2	121.8022	0.152	6	121.8022	0.152	6	121.8022	0.152	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(H)2	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	121.7028	0.345	4	121.8022	0.152	6	121.8022	0.152	6	121.8022	0.152	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[3,6,6]-4:C[3]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:C-3:H-1:	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CN[5a]O)(H)	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CN[5a]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.5205	0.591	4	120.5205	0.349	4	120.5205	0.349	4	120.5205	0.349	4	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:2:	4:3:2:1:	4:2:4:1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	121.8650	0.484	2	121.8650	0.234	2	121.8650	0.234	2	121.8650	0.234	2	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:2:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:2:2:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:S[3]-2:O-2:O-2:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2{2|H<1>,4|C<4>}	119.7007	0.584	6	119.7007	0.341	6	119.7007	0.341	6	119.7007	0.341	6	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[3]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3]-4:C-2:C-2:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2{2|H<1>,4|C<4>}	116.5840	1.902	2	116.5840	3.618	2	116.5840	3.618	2	118.8050	7.785	4	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[3]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3]-4:O-2:O-2:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]CC)(OC)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO){2|C<4>,8|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]CC)(OC)2{2|H<1>,4|C<4>}	121.0260	0.078	2	121.0260	0.006	2	121.0260	0.006	2	118.8050	7.785	4	121.4587	3.671	38	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:3:3:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	120.9005	0.619	2	120.9005	0.383	2	120.9005	0.383	2	120.9005	0.383	2	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:3:4:4:	4:2:3:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	119.2250	0.726	4	119.2250	0.527	4	119.2250	0.527	4	119.2250	0.527	4	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	120.4750	0.000	1	120.4750	0.000	1	120.0467	0.244	3	120.0467	0.244	3	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	119.5060	0.000	1	119.5060	0.000	1	120.0467	0.244	3	120.0467	0.244	3	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	120.1590	0.000	1	120.1590	0.000	1	120.0467	0.244	3	120.0467	0.244	3	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	119.0645	0.100	2	119.0645	0.010	2	119.0645	0.010	2	119.0645	0.010	2	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	120.5923	4.700	3	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|C<4>}	121.8425	0.151	2	121.8425	0.023	2	121.8425	0.023	2	120.5923	4.700	3	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	121.6110	0.000	1	122.6932	0.630	6	122.6932	0.630	6	122.6932	0.630	6	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	122.4330	0.000	1	122.6932	0.630	6	122.6932	0.630	6	122.6932	0.630	6	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	122.8800	0.772	3	122.6932	0.630	6	122.6932	0.630	6	122.6932	0.630	6	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	123.4750	0.000	1	122.6932	0.630	6	122.6932	0.630	6	122.6932	0.630	6	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:4:1:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H){1|C<3>,1|H<1>,5|C<4>}	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	121.7330	0.000	1	121.7330	0.000	1	122.3547	0.300	3	122.5426	0.216	5	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	122.7670	0.000	1	122.7670	0.000	1	122.3547	0.300	3	122.5426	0.216	5	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	122.5640	0.000	1	122.5640	0.000	1	122.3547	0.300	3	122.5426	0.216	5	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	122.8260	0.000	1	122.8245	0.000	2	122.8245	0.000	2	122.5426	0.216	5	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	122.8230	0.000	1	122.8245	0.000	2	122.8245	0.000	2	122.5426	0.216	5	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:3:	4:3:4:2:	4:4:4:1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:3:3:2:	4:4:4:1:	C[6,6]-4:C[5,6,6]-4:C[3,6]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	130.3400	0.000	1	130.3400	0.000	1	130.3400	0.000	1	130.3400	0.000	1	121.4707	5.792	29	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	3:4:4:3:	4:4:3:1:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:C[6a]-3:H-1:	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H){2|C<3>,4|C<4>,4|H<1>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	122.0166	0.431	5	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:C-3:H-1:	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(COO)(H)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H){2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(COO)(H){3|C<4>,3|H<1>}	121.8990	0.695	4	121.8990	0.483	4	121.8990	0.483	4	122.0166	0.431	5	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:2:	4:3:4:1:	4:2:4:1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:2:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:4:1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	124.8395	0.288	2	124.8395	0.083	2	124.8395	0.083	2	124.8395	0.083	2	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:3:	4:3:4:2:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,3x6]-4:C[3,6,6]-4:Br-1:H-1:	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[3](C[3,3x6]C[3,6,6]C[3x6]C[4x6])(C[3,6,6]C[3,3x6]C[6,6]C[6])(Br)(H){1|O<1>,2|H<1>,2|O<2>,6|C<4>}	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	116.0360	12.561	3	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	116.0360	12.561	3	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|O<1>,3|H<1>,7|C<4>}	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	116.0360	12.561	3	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:3:3:2:	4:4:1:1:	C[6,6]-4:C[5,6,6]-4:C[3,6]-4:C[3]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	C[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	C[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	117.6900	0.000	1	117.6900	0.000	1	117.6900	0.000	1	117.6900	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,6|H<1>}	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:3:4:	4:4:1:1:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	121.5575	0.493	4	122.0335	1.484	19	122.0335	1.484	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	119.8480	0.000	1	122.0335	1.484	19	122.0335	1.484	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	121.4880	0.000	1	122.0335	1.484	19	122.0335	1.484	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	121.0907	1.195	4	122.0335	1.484	19	122.0335	1.484	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	122.9674	0.735	9	122.0335	1.484	19	122.0335	1.484	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	119.9950	0.000	1	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	114.1940	0.000	1	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,6|H<1>}	115.0030	0.000	1	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	114.1167	1.206	3	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	114.6110	0.000	1	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	114.3426	0.879	12	114.6455	2.349	19	114.6455	2.349	19	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	119.2870	0.000	1	120.1335	1.433	2	120.1335	1.433	2	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	120.9800	0.000	1	120.1335	1.433	2	120.1335	1.433	2	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]C)(H)2	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	115.5200	0.000	1	115.5200	0.000	1	115.5200	0.000	1	118.3233	14.767	42	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|O<1>,3|H<1>,7|C<4>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	118.8747	13.558	61	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,5,6]	4:4:4:2:	4:4:2:1:	4:4:2:4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:2:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	116.8170	0.000	1	116.8170	0.000	1	117.6145	1.272	2	117.6145	1.272	2	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	118.4120	0.000	1	118.4120	0.000	1	117.6145	1.272	2	117.6145	1.272	2	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	120.9660	0.000	1	119.7871	0.510	16	119.7588	0.492	17	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.3100	0.876	4	119.7871	0.510	16	119.7588	0.492	17	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.9257	0.999	3	119.7871	0.510	16	119.7588	0.492	17	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.8263	0.376	8	119.7871	0.510	16	119.7588	0.492	17	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.3060	0.000	1	119.3060	0.000	1	119.7588	0.492	17	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	117.1190	0.000	1	116.7893	0.505	17	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	115.0740	0.000	1	116.7893	0.505	17	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	116.0940	0.000	1	116.7893	0.505	17	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	116.5397	0.843	4	116.7893	0.505	17	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	117.0972	0.367	10	116.7893	0.505	17	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	120.5660	0.000	1	120.5660	0.000	1	116.9991	1.268	18	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	116.8250	0.000	1	116.8250	0.000	1	118.1250	3.380	2	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.4250	0.000	1	119.4250	0.000	1	118.1250	3.380	2	118.3279	2.763	37	118.3375	2.598	42	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	3:4:4:2:	4:2:4:4:	4:4:2:1:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[6]-2:C-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	120.5465	1.198	4	120.5465	1.436	4	120.5465	1.436	4	120.5465	1.436	4	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:3:4:2:	4:2:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[6]-2:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:3:4:2:	4:2:2:1:	4:4:2:1:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	123.6160	0.000	1	123.6160	0.000	1	122.1745	4.156	2	122.1745	4.156	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:3:4:2:	4:2:2:1:	4:4:2:1:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.7330	0.000	1	120.7330	0.000	1	122.1745	4.156	2	122.1745	4.156	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:3:4:2:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:2:3:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[5a,6]-3:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	117.6555	0.268	2	117.6555	0.072	2	117.6555	0.072	2	117.6555	0.072	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:2:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:O-2:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:3:2:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	121.2275	6.045	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	121.2275	6.045	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	118.9855	0.189	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	118.9855	0.189	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	121.9215	0.736	2	121.9215	0.542	2	121.9215	0.542	2	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	117.7400	0.000	1	117.7400	0.000	1	118.0990	0.611	4	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	117.1670	0.000	1	117.1670	0.000	1	118.0990	0.611	4	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	118.7445	0.032	2	118.7445	0.001	2	118.0990	0.611	4	119.8687	4.582	8	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:2:4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	119.3915	0.121	2	119.3915	0.015	2	119.3915	0.015	2	119.3915	0.015	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.6330	0.000	1	119.6330	0.000	1	119.7920	0.026	3	118.3445	8.398	4	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.8715	0.120	2	119.8715	0.014	2	119.7920	0.026	3	118.3445	8.398	4	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	118.3445	8.398	4	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[3]-4:C-4:	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH)	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	119.1765	5.311	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH){3|C<4>,5|H<1>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	119.1765	5.311	2	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,6|C<4>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	119.3479	5.915	39	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:3:4:4:	4:4:2:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:Cl-1:H-1:	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H)	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H){1|C<3>,4|H<1>,6|C<4>}	118.9235	2.754	2	118.9235	7.586	2	118.9235	7.586	2	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,6|H<1>}	117.7790	0.000	1	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	117.5365	0.611	4	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	119.5270	0.000	1	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	118.4720	0.000	1	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	117.0168	2.067	4	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	115.7786	0.770	9	116.7999	2.190	20	116.7999	2.190	20	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)(H)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	118.1590	0.000	1	118.1590	0.000	1	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,5|H<1>}	112.8660	0.000	1	117.7976	2.314	19	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|C<3>,5|C<4>,6|H<1>}	116.4350	0.000	1	117.7976	2.314	19	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	118.0770	0.000	1	117.7976	2.314	19	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	117.8570	0.000	1	117.7976	2.314	19	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	118.1946	0.965	15	117.7976	2.314	19	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{1|O<1>,3|H<1>,7|C<4>}	115.1360	0.000	1	115.1360	0.000	1	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	117.4730	0.000	1	116.8080	0.884	2	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3](C[3,6,6]C[3,6,6]C[6,6]C[6])2(H)2{6|C<4>,6|H<1>}	116.1430	0.000	1	116.8080	0.884	2	117.6115	2.315	23	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]C)(H)2	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	117.2914	2.456	47	117.3567	2.389	50	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[3x6]	C[3]	4:4:3:2:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.0395	0.223	2	121.2730	0.188	3	121.2730	0.188	3	121.2730	0.188	3	121.6490	0.691	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[3x6]	C[3]	4:4:3:2:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.7400	0.000	1	121.2730	0.188	3	121.2730	0.188	3	121.2730	0.188	3	121.6490	0.691	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[3x6]	C[3]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	121.6490	0.691	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6,6]H)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|S<2>,2|C<4>,3|H<1>}	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6,6]H)(Br)2	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6,6]H)(Br)2{2|H<1>,4|C<4>}	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	121.6403	1.239	7	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Br)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Br)2{3|C<4>,3|H<1>}	122.4310	0.805	2	122.4310	0.648	2	122.4310	0.648	2	121.6403	1.239	7	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2{3|C<4>,3|H<1>}	121.9410	0.563	2	121.9410	0.317	2	121.9410	0.317	2	121.6403	1.239	7	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	C[3](C[3,6]C[3,6]C[6,6]H)2(H)2	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)2(H)2{1|C<3>,1|H<1>,3|C<4>}	120.1620	0.257	2	120.1620	0.066	2	120.1620	0.066	2	121.6403	1.239	7	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{3|C<4>,3|H<1>}	124.6480	0.000	1	124.6480	0.000	1	124.6480	0.000	1	124.6480	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	122.0760	0.491	2	122.0760	0.241	2	122.0760	0.241	2	122.0760	0.241	2	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{2|H<1>,4|C<4>}	121.8940	0.000	1	121.8940	0.000	1	122.1757	0.135	3	122.1757	0.135	3	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	122.0420	0.000	1	122.3165	0.151	2	122.1757	0.135	3	122.1757	0.135	3	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	122.5910	0.000	1	122.3165	0.151	2	122.1757	0.135	3	122.1757	0.135	3	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C[3]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3)	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6,6]H)(Br)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6,6]H)(Br)2{2|H<1>,4|C<4>}	123.1530	0.000	1	123.1530	0.000	1	123.1530	0.000	1	123.1530	0.000	1	121.8088	1.970	19	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,3]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[3,4,6]-4:C[3,4,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[3,6]-4:N[6]-3:	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C)	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C){1|N<3>,3|C<4>,6|H<1>}	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[3,4,6]-4:C[3,4]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[3,6]-4:C[4]-4:C-4:	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	C[3,4](C[3,4,6]C[4,6,6]C[3,6]H)(C[3,6]C[3,4,6]C[6]O)(C[4]C[4,6,6]HH)(CH3)	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[3,4](C[3,4,6]C[4,6,6]C[3,6]H)(C[3,6]C[3,4,6]C[6]O)(C[4]C[4,6,6]HH)(CH3){2|H<1>,3|C<4>}	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:3:1:1:	3:4:4:3:	C[3,5]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H)	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H){1|N<2>,4|C<3>,4|H<1>}	119.7265	0.918	4	119.7265	0.844	4	119.7265	0.844	4	119.7265	0.844	4	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	122.7095	0.585	2	122.7095	0.342	2	122.7095	0.342	2	122.7095	0.342	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H)	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<4>}	124.3450	0.330	2	124.3450	0.109	2	124.3450	0.109	2	124.3450	0.109	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-3:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]N)(COO){3|C<4>,3|H<1>}	124.6035	0.269	2	124.6035	0.073	2	124.6035	0.073	2	124.6035	0.073	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	123.9260	0.000	1	123.9260	0.000	1	126.3570	11.820	2	126.3570	11.820	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<4>,3|H<1>}	128.7880	0.000	1	128.7880	0.000	1	126.3570	11.820	2	126.3570	11.820	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:B[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,3|C<3>}	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[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3){1|B<4>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]O)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<2>,4|C<4>}	127.2110	0.000	1	127.2110	0.000	1	127.2110	0.000	1	127.2110	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH){4|H<1>,5|C<4>}	125.2360	0.000	1	125.2360	0.000	1	125.2360	0.000	1	124.8753	1.492	3	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	124.6950	1.670	2	124.6950	2.790	2	124.6950	2.790	2	124.8753	1.492	3	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H){1|C<3>,5|C<4>,8|H<1>}	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	118.1720	0.320	5	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H){4|C<4>,6|H<1>}	118.2220	0.640	4	118.2220	0.409	4	118.2220	0.409	4	118.1720	0.320	5	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,4|H<1>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-3:H-1:	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-3:H-1:	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H)	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H){5|C<4>,7|H<1>}	118.6270	4.957	2	118.6270	24.570	2	118.6270	24.570	2	118.6270	24.570	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H)	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Co)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	118.5704	2.105	8	118.5704	4.431	8	118.4713	4.941	16	118.4713	4.941	16	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[5]-3:	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,1|C<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[3,5](C[3,5]C[3,6]C[5]N[5])(C[3,6]C[3,5]C[6]2)(N[5]C[5]Fe)(C[5]C[5]H){2|C<3>,3|C<4>,6|H<1>}	118.3723	2.477	8	118.3723	6.136	8	118.4713	4.941	16	118.4713	4.941	16	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H)	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H){4|C<4>,4|H<1>}	118.7955	3.638	2	118.7955	13.236	2	118.7955	13.236	2	118.7955	13.236	2	120.5515	10.978	46	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	115.8640	2.550	2	115.8640	6.502	2	115.8640	6.502	2	115.8640	6.502	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	120.3330	0.000	1	120.3330	0.000	1	120.3330	0.000	1	122.8380	4.787	3	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	124.0905	0.401	2	124.0905	0.161	2	124.0905	0.161	2	122.8380	4.787	3	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:2:1:	4:4:2:2:	C[3,5,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-2:H-1:	C[3,5,6]-4:C[3,6]-4:O[6]-2:O[6]-2:	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2{1|C<2>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	121.3550	0.953	2	121.3550	0.909	2	121.3550	0.909	2	121.3550	0.909	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	125.3000	0.000	1	125.3000	0.000	1	125.3000	0.000	1	125.3000	0.000	1	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	124.4690	0.000	1	124.4690	0.000	1	123.1965	3.239	2	123.1965	3.239	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,6|C<4>}	121.9240	0.000	1	121.9240	0.000	1	123.1965	3.239	2	123.1965	3.239	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	3:4:2:1:	4:4:4:2:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	117.9207	0.679	8	117.9207	0.461	8	117.9207	0.461	8	117.9207	0.461	8	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	117.6930	0.000	1	117.6930	0.000	1	118.5120	1.342	2	118.5120	1.342	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	119.3310	0.000	1	119.3310	0.000	1	118.5120	1.342	2	118.5120	1.342	2	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:4:3:2:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.6280	0.000	1	120.6280	0.000	1	119.4620	1.082	3	119.4620	1.082	3	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:4:3:2:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.8790	0.354	2	118.8790	0.125	2	119.4620	1.082	3	119.4620	1.082	3	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	119.6631	8.208	26	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	2:4:4:4:	4:4:1:1:	4:4:1:1:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	2:4:4:4:	4:4:1:1:	4:4:4:1:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:3:4:	4:4:1:1:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.7060	1.368	2	118.7060	1.870	2	118.7060	1.870	2	118.7060	1.870	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:1:	4:3:3:1:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:C-3:H-1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|O<1>,2|C<4>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.3880	0.000	1	123.3880	0.000	1	123.2020	0.069	2	123.2020	0.069	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:1:	4:3:3:1:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:C-3:H-1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.0160	0.000	1	123.0160	0.000	1	123.2020	0.069	2	123.2020	0.069	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:1:	4:3:3:1:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[5,6]-3:C-3:H-1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.1205	0.665	2	123.1205	0.443	2	123.1205	0.443	2	123.1205	0.443	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:2:	4:4:1:1:	4:2:1:1:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:2:	4:4:1:1:	4:2:4:1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:2:1:1:	4:4:1:1:	C[4,6]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[4,6]C[4,6]C[4])(C[3]C[3]HH)2(C[6]O[6]HH)	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2	C[3](C[3,6]C[4,6]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[3,6](C[4,6]C[4,6]C[4])(C[3]C[3]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	C[3](C[3,6]C[4,6]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.2755	1.056	2	118.2755	1.115	2	118.2755	1.115	2	118.2755	1.115	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	117.2668	0.390	4	117.2668	0.152	4	117.2668	0.152	4	117.2668	0.152	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HO)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.9820	0.000	1	115.9820	0.000	1	115.9820	0.000	1	115.9820	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(OC)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	118.2750	0.000	1	118.2750	0.000	1	118.2750	0.000	1	118.2750	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(H)2	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	3:4:4:4:	4:4:2:1:	4:4:4:1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:1:	4:2:4:2:	4:3:3:1:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	120.5810	0.409	2	120.5810	0.167	2	120.5810	0.167	2	120.5810	0.167	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H)	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H){1|C<4>,4|C<3>}	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:2:	4:2:1:1:	4:3:3:2:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:3:	4:3:3:1:	4:3:1:1:	C[6]-4:N[3,6]-3:C[3]-4:C-3:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO)	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO){2|H<1>,4|C<3>}	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2{2|H<1>,4|C<3>}	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:3:4:4:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2{1|H<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|N<3>,3|C<3>,4|H<1>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(Cl)2{2|C<3>,4|H<1>}	121.6970	0.318	2	121.6970	0.101	2	121.6970	0.101	2	121.6970	0.101	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[3,3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2	C[3](C[3,3,6]C[3,6]2C[3])(C[3,6]C[3,3,6]C[6]H)(H)2	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[3](C[3,3,6]C[3,6]2C[3])(C[3,6]C[3,3,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|H<1>}	119.7455	0.095	2	119.7455	0.009	2	119.7455	0.009	2	120.2923	0.902	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	120.2923	0.902	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2	C[3](C[3,6]C[6,6a]C[3,6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.2265	0.229	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	117.2265	0.229	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H)	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H){1|C<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:2:4:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<3>,4|H<1>}	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	121.7678	0.602	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:H-1:	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H)	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[3](C[3,6]C[5,6,6]C[3,6]C)(C[3,6]C[3,6]C[6]H)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	121.7678	0.602	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.0270	0.000	1	122.0270	0.000	1	122.3123	0.092	3	121.7678	0.602	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.2800	0.000	1	122.4550	0.061	2	122.3123	0.092	3	121.7678	0.602	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	122.6300	0.000	1	122.4550	0.061	2	122.3123	0.092	3	121.7678	0.602	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(COO)(H){2|C<3>,4|H<1>}	118.7575	1.324	2	118.7575	1.754	2	118.7575	1.754	2	120.3708	4.058	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CCH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	120.3708	4.058	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	122.0490	0.000	1	122.0490	0.000	1	122.0490	0.000	1	120.3708	4.058	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO){4|C<3>,6|H<1>}	120.7110	0.460	2	120.7110	0.211	2	120.7110	0.211	2	120.7110	0.211	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<3>,4|H<1>}	121.5720	0.294	2	121.5720	0.087	2	124.0006	3.208	11	123.6508	3.021	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<3>,1|C<4>,4|H<1>}	125.2764	0.268	7	125.2764	0.072	7	124.0006	3.208	11	123.6508	3.021	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2{1|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<3>,4|H<1>}	121.9640	0.269	2	121.9640	0.072	2	124.0006	3.208	11	123.6508	3.021	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<3>,1|C<4>,4|H<1>}	122.0100	0.379	2	122.0100	0.144	2	122.3680	0.456	3	123.6508	3.021	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<4>,2|C<3>,3|H<1>}	123.0840	0.000	1	123.0840	0.000	1	122.3680	0.456	3	123.6508	3.021	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<4>,2|C<3>,3|H<1>}	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:4:2:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	124.2600	0.000	1	124.2600	0.000	1	124.2600	0.000	1	124.2600	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,4,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H)(H)2	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	123.2150	0.641	2	123.2150	0.410	2	123.2150	0.410	2	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	C[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.6750	0.000	1	115.6750	0.000	1	118.2975	13.755	2	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.9200	0.000	1	120.9200	0.000	1	118.2975	13.755	2	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:F-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)2(H)2	C[3](C[3,6]C[3,6]C[6]H)2(Br)(F)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)2(H)2{2|Br<1>,1|C<4>,2|F<1>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(Br)(F){2|C<4>,4|H<1>}	122.0590	0.262	2	122.0590	0.068	2	122.0590	0.068	2	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	121.5240	0.658	2	121.5240	0.432	2	121.5240	0.432	2	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Br)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Br)2{1|C<3>,2|C<4>,2|H<1>}	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	123.5550	0.000	1	123.5550	0.000	1	123.4142	0.898	4	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{1|C<3>,2|C<4>,2|H<1>}	122.7685	0.718	2	122.7685	0.515	2	123.4142	0.898	4	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	124.5650	0.000	1	124.5650	0.000	1	123.4142	0.898	4	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{4|C<4>,5|H<1>}	125.6240	0.000	1	125.6240	0.000	1	124.0620	1.876	3	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{2|C<3>,2|H<1>,3|C<4>}	123.0660	0.000	1	123.2810	0.092	2	124.0620	1.876	3	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{2|C<3>,3|C<4>,3|H<1>}	123.4960	0.000	1	123.2810	0.092	2	124.0620	1.876	3	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	121.1370	0.332	3	121.1370	0.110	3	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	123.9850	0.000	1	123.9850	0.000	1	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]I)(H)2	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]I)(H)2{1|O<1>,2|C<4>,2|H<1>}	120.7567	0.515	4	120.7567	0.266	4	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.1005	0.927	2	123.1005	0.859	2	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.1210	0.000	2	121.1210	0.000	2	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|S<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2970	0.000	1	120.2970	0.000	1	121.4741	1.459	13	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:I-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)(I)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)(I){2|C<4>,4|H<1>}	121.7060	0.000	1	121.7060	0.000	1	121.7060	0.000	1	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[3]-4:H-1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<4>,4|H<1>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	121.9616	3.245	31	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H){2|C<4>,4|H<1>}	121.1060	0.000	1	121.1060	0.000	1	121.1060	0.000	1	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	122.2520	0.000	1	122.2520	0.000	1	121.5500	1.096	5	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>}	122.8320	0.000	1	121.5775	3.148	2	121.5500	1.096	5	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	120.3230	0.000	1	121.5775	3.148	2	121.5500	1.096	5	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.6950	0.000	1	120.6950	0.000	1	121.5500	1.096	5	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	121.6480	0.000	1	121.6480	0.000	1	121.5500	1.096	5	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	121.0750	0.000	1	121.0750	0.000	1	121.0750	0.000	1	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	120.6455	0.865	2	120.6455	0.748	2	120.6455	0.748	2	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:N-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H){1|O<1>,2|C<4>,2|H<1>}	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.8000	1.686	2	120.8000	2.842	2	120.6220	1.516	3	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.2660	0.000	1	120.2660	0.000	1	120.6220	1.516	3	120.8085	1.891	13	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCH)(COO)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCH)(COO){1|C<4>,2|C<3>,2|H<1>}	120.1730	0.000	1	120.1730	0.000	1	122.0783	2.770	3	122.0783	2.770	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCO)(COO)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCO)(COO){1|C<4>,2|C<3>,2|H<1>}	123.0310	0.308	2	123.0310	0.095	2	122.0783	2.770	3	122.0783	2.770	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	121.1000	0.000	1	121.1000	0.000	1	121.8115	1.012	2	121.8115	1.012	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.5230	0.000	1	122.5230	0.000	1	121.8115	1.012	2	121.8115	1.012	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN){1|O<1>,2|C<4>,2|H<1>}	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	123.2570	1.465	2	123.2570	2.147	2	124.0182	1.808	4	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	124.7795	0.979	2	124.7795	0.959	2	124.0182	1.808	4	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3){1|O<1>,2|C<4>,2|H<1>}	119.4310	0.000	1	119.4310	0.000	1	121.7813	1.084	10	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<3>,1|C<4>,4|H<1>}	121.8871	0.604	7	121.8871	0.365	7	121.7813	1.084	10	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<3>,1|C<4>,4|H<1>}	122.5860	0.819	2	122.5860	0.670	2	121.7813	1.084	10	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|O<1>,2|C<4>,2|H<1>}	122.0070	0.000	1	124.5090	1.671	6	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	125.6890	0.000	1	124.5090	1.671	6	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	124.6520	0.341	2	124.5090	1.671	6	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	125.0950	0.000	1	124.5090	1.671	6	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	124.9590	0.000	1	124.5090	1.671	6	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	121.8210	0.000	1	121.8210	0.000	1	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	124.1620	0.000	1	124.1620	0.000	1	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	125.5085	1.316	2	125.5085	1.732	2	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{3|C<4>,3|H<1>}	128.5300	0.000	1	128.5300	0.000	1	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{3|C<4>,3|H<1>}	122.3440	0.000	1	122.3440	0.000	1	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	123.6860	0.000	1	123.6540	0.002	2	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|S<2>,2|C<4>,3|H<1>}	123.6220	0.000	1	123.6540	0.002	2	124.4454	3.207	14	123.4329	3.699	28	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN){1|O<2>,2|H<1>,3|C<4>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8905	1.419	2	127.8773	79.909	4	127.8773	79.909	4	127.8773	79.909	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	131.8640	13.196	2	127.8773	79.909	4	127.8773	79.909	4	127.8773	79.909	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	130.4890	0.434	2	129.7030	0.896	4	127.7347	9.863	6	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	128.9170	0.164	2	129.7030	0.896	4	127.7347	9.863	6	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	123.7980	0.371	2	123.7980	0.137	2	127.7347	9.863	6	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	129.3780	0.000	1	128.6215	0.370	4	127.9562	2.491	5	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	128.2105	0.442	2	128.6215	0.370	4	127.9562	2.491	5	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	128.6870	0.000	1	128.6215	0.370	4	127.9562	2.491	5	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	125.2950	0.000	1	125.2950	0.000	1	127.9562	2.491	5	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	120.5700	0.000	1	122.0850	4.590	2	122.0850	4.590	2	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	123.6000	0.000	1	122.0850	4.590	2	122.0850	4.590	2	126.6614	10.399	14	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN){1|O<2>,2|H<1>,3|C<4>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	122.0430	0.000	1	122.0430	0.000	1	122.1367	0.055	3	122.1367	0.055	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	121.9640	0.000	1	121.9640	0.000	1	122.1367	0.055	3	122.1367	0.055	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	122.4030	0.000	1	122.4030	0.000	1	122.1367	0.055	3	122.1367	0.055	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2{2|Cl<1>,1|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<3>,4|H<1>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	118.0586	7.244	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{2|H<1>,4|C<4>}	115.9170	0.000	1	115.9170	0.000	1	115.9170	0.000	1	118.0586	7.244	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{3|C<4>,3|H<1>}	118.0195	0.062	2	118.0195	0.004	2	118.0195	0.004	2	118.0586	7.244	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3]){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{2|C<4>,4|H<1>}	119.7900	0.154	2	119.7900	0.024	2	119.7900	0.024	2	118.0586	7.244	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	118.0586	7.244	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	118.8200	0.000	1	118.8200	0.000	1	120.7696	5.037	8	120.7696	5.037	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	120.4077	0.788	3	120.4077	0.621	3	120.7696	5.037	8	120.7696	5.037	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3]){1|N<3>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|H<1>}	121.5285	3.029	4	121.5285	9.173	4	120.7696	5.037	8	120.7696	5.037	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	122.7880	0.000	1	122.7880	0.000	1	122.7880	0.000	1	121.6281	1.910	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	123.2570	0.000	1	123.2570	0.000	1	123.2570	0.000	1	121.6281	1.910	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	121.2800	1.156	3	121.2800	1.337	3	121.0704	1.477	5	121.6281	1.910	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	119.5510	0.000	1	119.5510	0.000	1	121.0704	1.477	5	121.6281	1.910	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	121.9610	0.000	1	121.9610	0.000	1	121.0704	1.477	5	121.6281	1.910	7	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[3]-4:O-2:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(Cl)2{2|C<4>,4|H<1>}	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	132.2940	11.589	2	132.2940	134.316	2	132.2940	134.316	2	132.2940	134.316	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	119.8980	0.000	1	119.8980	0.000	1	119.8980	0.000	1	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	117.7180	0.000	1	117.7180	0.000	1	119.4370	3.340	4	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	118.0290	0.000	1	118.0290	0.000	1	119.4370	3.340	4	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	121.0005	0.441	2	121.0005	0.194	2	119.4370	3.340	4	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	120.0086	3.053	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:4:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	122.1243	0.486	3	122.1243	0.236	3	122.1243	0.236	3	122.1243	0.236	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:2:4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:3:2:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.6720	0.000	1	120.6720	0.000	1	120.6720	0.000	1	120.6720	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HO)(H)2	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	120.3710	0.490	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:O[6]-2:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.3710	0.490	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3]-4:C[3]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(OC)(H)	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:O[6]-2:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.5750	0.000	1	126.5750	0.000	1	125.3185	3.158	2	125.3185	3.158	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0620	0.000	1	124.0620	0.000	1	125.3185	3.158	2	125.3185	3.158	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:3:1:	4:2:4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5640	0.000	1	122.5640	0.000	1	122.5640	0.000	1	122.5640	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H){2|C<3>,4|C<4>}	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	121.3380	2.451	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H)	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H){1|C<3>,5|C<4>}	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	121.3380	2.451	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{3|C<4>,3|H<1>}	123.0630	0.004	2	123.0630	0.000	2	123.0630	0.000	2	123.0630	0.000	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:4:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	120.4750	0.000	1	120.4750	0.000	1	120.4750	0.000	1	121.8115	8.368	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	124.1940	0.458	2	122.2570	11.361	3	122.2570	11.361	3	121.8115	8.368	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	118.3830	0.000	1	122.2570	11.361	3	122.2570	11.361	3	121.8115	8.368	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	4:4:4:3:	4:2:3:1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:C-4:C-3:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H){2|C<3>,4|C<4>}	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:2:	7:4:4:1:	4:2:4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	3:4:2:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]N[6]C)(C[6]C[6,6a]HO)(C[3]C[3,6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]N[6]C)(H)2	C[3,6](C[3,6]C[3]N[6]C)(C[6]C[6,6a]HO)(C[3]C[3,6]HH)(CC[6a]O){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]N[6]C)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	3:4:3:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]C)(H)2	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]N[6]O)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]N[6]O)(H)2	C[3,6](C[3,6]C[3]N[6]O)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]N[6]O)(H)2{1|N<2>,2|C<3>,2|H<1>}	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	118.9150	3.092	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	118.9150	3.092	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	120.2510	0.239	2	120.2510	0.057	2	120.2510	0.057	2	118.9150	3.092	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	118.9150	3.092	5	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:3:2:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.6980	0.000	1	115.6980	0.000	1	115.4203	0.099	3	115.4203	0.099	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:3:2:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6]2)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.2815	0.288	2	115.2815	0.083	2	115.4203	0.099	3	115.4203	0.099	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.2320	0.000	1	120.2320	0.000	1	120.1825	0.005	2	120.1825	0.005	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	120.1330	0.000	1	120.1330	0.000	1	120.1825	0.005	2	120.1825	0.005	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.5750	0.000	1	120.5750	0.000	1	120.9030	0.215	2	120.9030	0.215	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.2310	0.000	1	121.2310	0.000	1	120.9030	0.215	2	120.9030	0.215	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	3:4:3:3:	4:4:4:1:	C[3,6]-4:C[6]-4:C[3]-4:C-4:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	119.2090	0.000	1	119.2090	0.000	1	119.2090	0.000	1	119.2090	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]HH)2(C[6]O[6]HH)2	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[3,6](C[3]C[3]HH)2(C[6]O[6]HH)2{1|C<4>}	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2{3|O<2>,6|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{2|O<2>,4|H<1>}	119.3546	0.671	8	119.3546	0.451	8	119.3546	0.451	8	119.3546	0.451	8	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[3]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2{1|C<4>,1|W<7>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|W<7>,3|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)2(H)2{1|C<3>,1|N<3>,3|H<1>}	120.5730	0.000	1	120.5730	0.000	1	119.3280	3.737	3	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|N<3>,3|C<3>,4|H<1>}	120.3100	0.000	1	120.3100	0.000	1	119.3280	3.737	3	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<4>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.1010	0.000	1	117.1010	0.000	1	119.3280	3.737	3	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<4>,2|C<3>,3|H<1>}	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.4408	0.620	8	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	117.6295	0.531	2	117.6295	0.282	2	117.4408	0.620	8	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	116.7023	0.546	3	117.3710	0.990	5	117.4408	0.620	8	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	118.3740	0.107	2	117.3710	0.990	5	117.4408	0.620	8	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	114.3760	0.000	1	114.3760	0.000	1	114.3760	0.000	1	117.8177	2.375	16	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	C[3](C[3,6]C[3,6]C[3]C[6])(C[3]C[3]HH)2(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]C[6])(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.5650	0.000	1	120.5650	0.000	1	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.7070	0.000	1	119.7070	0.000	1	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.7010	0.000	1	121.7010	0.000	1	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.1220	0.502	2	121.1220	0.252	2	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.9073	0.505	3	121.3910	0.637	5	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.6165	0.194	2	121.3910	0.637	5	121.1172	0.645	10	121.1172	0.645	10	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH){1|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	117.1298	0.405	4	117.1298	0.164	4	117.1298	0.164	4	117.1298	0.164	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<3>,2|C<4>,3|H<1>}	119.9350	0.000	1	118.6775	0.995	4	118.6775	0.995	4	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<4>,2|C<3>,3|H<1>}	118.8800	0.000	1	118.6775	0.995	4	118.6775	0.995	4	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<3>,2|C<4>,3|H<1>}	117.9475	0.545	2	118.6775	0.995	4	118.6775	0.995	4	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	119.2390	0.000	1	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	118.4560	0.490	3	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	118.2880	0.000	1	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	118.0940	0.000	1	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	118.6355	0.647	2	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	118.9160	0.000	1	118.5751	0.227	9	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	117.6310	0.648	2	117.8238	0.143	5	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<4>,2|C<3>,3|H<1>}	117.9580	0.174	2	117.8238	0.143	5	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	117.9410	0.000	1	117.8238	0.143	5	118.3068	0.324	14	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	117.1830	0.000	1	117.1830	0.000	1	118.6075	4.058	2	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	120.0320	0.000	1	120.0320	0.000	1	118.6075	4.058	2	118.4110	0.619	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	119.4020	0.000	1	118.1870	0.721	4	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.9520	0.000	1	118.1870	0.721	4	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	117.6970	0.390	2	118.1870	0.721	4	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.7130	0.000	1	119.7130	0.000	1	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	118.8970	0.000	1	118.8970	0.000	1	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	118.9320	0.000	1	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.2203	0.462	3	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	117.6860	0.000	1	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	118.3800	0.000	1	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	117.8945	0.689	2	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.8700	0.000	1	117.8131	0.445	9	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.0740	0.574	2	117.3218	0.195	5	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.6875	0.071	2	117.3218	0.195	5	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	117.0860	0.000	1	117.3218	0.195	5	117.9142	0.676	20	117.9142	0.676	20	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3](C[3,6]C[3,6]C[6]C)2(Br)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Br<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)2(Br)2{2|C<4>,4|H<1>}	118.3980	0.324	2	118.3980	0.105	2	118.3980	0.105	2	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3](C[3,6]C[3,6]C[6]C)2(Br)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{2|Br<1>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)2(Br)(H){2|C<4>,4|H<1>}	119.1365	0.385	2	119.1365	0.149	2	119.1365	0.149	2	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3](C[3,6]C[3,6]C[6]C)2(Cl)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Cl<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)2(Cl)2{2|C<4>,4|H<1>}	117.3900	0.304	2	117.3900	0.092	2	117.2498	0.100	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	116.8570	0.000	1	116.8570	0.000	1	117.2498	0.100	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	117.3620	0.000	1	117.3620	0.000	1	117.2498	0.100	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	119.4360	1.059	2	117.9658	1.894	6	118.5950	2.289	9	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	117.2308	0.789	4	117.9658	1.894	6	118.5950	2.289	9	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Br)2{3|C<4>,3|H<1>}	119.0920	0.000	1	119.0920	0.000	1	118.5950	2.289	9	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Br-1:Br-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Br)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Br)2{3|C<4>,3|H<1>}	120.2340	0.921	2	120.2340	0.848	2	118.5950	2.289	9	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<4>,4|H<1>}	119.2210	0.000	1	119.2210	0.000	1	118.5316	1.439	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	117.8770	0.000	1	117.5044	0.319	5	118.5316	1.439	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	117.4112	0.607	4	117.5044	0.319	5	118.5316	1.439	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(Cl)2{3|C<4>,3|H<1>}	119.4635	0.569	2	119.4635	0.324	2	118.5316	1.439	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)(Cl)2{3|C<4>,3|H<1>}	119.8230	0.727	2	119.8230	0.528	2	118.5316	1.439	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)2(H)2{1|O<1>,2|C<4>,2|H<1>}	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:H-1:I-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)(I)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)(I){2|C<4>,4|H<1>}	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2{2|F<1>,3|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{4|C<4>,5|H<1>}	118.2450	0.000	1	118.2450	0.000	1	118.2450	0.000	1	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<3>,2|C<4>,3|H<1>}	115.1170	0.000	1	115.1170	0.000	1	116.7320	1.963	3	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{1|C<3>,2|C<4>,3|H<1>}	117.5395	0.120	2	117.5395	0.014	2	116.7320	1.963	3	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	115.9080	1.347	3	116.5307	1.014	7	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	116.8595	0.285	2	116.5307	1.014	7	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	116.7730	0.000	1	116.5307	1.014	7	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	117.4990	0.000	1	116.5307	1.014	7	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	118.8730	0.000	1	118.8730	0.000	1	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{1|C<3>,2|C<4>,3|H<1>}	117.6650	0.000	1	117.6650	0.000	1	116.8913	1.286	10	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:F-1:F-1:	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(F)2	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(F)2{2|C<4>,4|H<1>}	119.3665	1.012	2	119.3665	1.024	2	119.3665	1.024	2	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	113.7260	0.000	1	113.7260	0.000	1	117.1375	3.140	6	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	117.1210	0.000	1	117.1210	0.000	1	117.1375	3.140	6	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]FF)(H)2	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]FF)(H)2{2|C<4>,4|H<1>}	117.5655	0.067	2	117.5655	0.005	2	117.1375	3.140	6	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	118.4235	0.617	2	118.4235	0.381	2	117.1375	3.140	6	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{3|C<4>,3|H<1>}	115.1660	0.000	1	116.8945	5.975	2	116.8945	5.975	2	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{3|C<4>,3|H<1>}	118.6230	0.000	1	116.8945	5.975	2	116.8945	5.975	2	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	117.9730	0.000	1	117.2063	1.880	7	117.2063	1.880	7	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	116.8313	1.840	3	117.2063	1.880	7	117.2063	1.880	7	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	117.3257	1.315	3	117.2063	1.880	7	117.2063	1.880	7	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	117.9890	0.000	1	116.1358	1.125	5	116.1358	1.125	5	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	115.6725	0.263	4	116.1358	1.125	5	116.1358	1.125	5	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[3,6](C[6]C[5,6]HH)(C[3]C[3]HH)2(C[6]C[6]CH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	118.6345	0.073	4	118.6345	0.005	4	118.6345	0.005	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2{2|C<4>,4|H<1>}	117.0875	0.105	2	117.0875	0.011	2	116.7562	0.152	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(Cl)2{2|C<4>,4|H<1>}	116.4250	0.075	2	116.4250	0.006	2	116.7562	0.152	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2{2|C<4>,4|H<1>}	119.9860	0.865	2	119.9860	0.749	2	119.2403	1.250	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(H)2{2|C<4>,4|H<1>}	118.4945	0.882	2	118.4945	0.778	2	119.2403	1.250	4	117.7199	2.200	77	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCH)(H){2|C<4>,4|H<1>}	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	118.2152	7.172	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]C)(CCH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	118.2152	7.172	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-3:H-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HS)(COO)(H)	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HS)(COO)(H){2|C<4>,4|H<1>}	118.5880	4.578	2	118.5880	20.956	2	118.5880	20.956	2	118.2152	7.172	4	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	119.6223	24.504	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:S-4:H-1:	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H)	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H){2|C<4>,4|H<1>}	118.4480	6.382	2	118.4480	40.734	2	118.4480	40.734	2	119.6223	24.504	3	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.7150	0.000	1	121.7150	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	122.6630	0.110	2	122.6630	0.012	2	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	120.5460	0.000	1	120.5460	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.0030	0.000	1	121.0030	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	121.2867	1.470	3	121.5187	1.017	7	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	122.2310	0.008	2	121.5187	1.017	7	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.5650	0.000	1	121.5187	1.017	7	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	120.7440	0.000	1	121.5187	1.017	7	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.5130	0.000	1	121.5130	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.6060	0.000	1	121.6060	0.000	1	121.5959	0.708	15	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){3|C<4>,3|H<1>}	121.7340	0.000	1	120.7860	1.797	2	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){3|C<4>,3|H<1>}	119.8380	0.000	1	120.7860	1.797	2	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	120.3640	0.000	1	120.6350	0.053	5	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	120.7028	0.199	4	120.6350	0.053	5	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	122.0370	0.000	1	120.1461	2.082	7	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	120.9530	0.301	3	120.1461	2.082	7	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	118.7090	0.542	3	120.1461	2.082	7	120.4121	1.194	14	121.0244	1.271	29	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3,6,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH){3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:3:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.1690	4.893	2	120.1690	23.943	2	120.1690	23.943	2	120.1690	23.943	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	119.4727	1.233	3	119.4727	1.519	3	119.2175	1.273	4	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	118.4520	0.000	1	118.4520	0.000	1	119.2175	1.273	4	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{3|C<4>,3|H<1>}	120.4770	0.000	1	120.4770	0.000	1	120.1645	0.195	2	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Br-1:Br-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Br)2{3|C<4>,3|H<1>}	119.8520	0.000	1	119.8520	0.000	1	120.1645	0.195	2	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	121.6615	1.022	2	121.1410	1.335	3	120.0053	1.686	7	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	120.1000	0.000	1	121.1410	1.335	3	120.0053	1.686	7	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	118.4710	0.000	1	118.4710	0.000	1	120.0053	1.686	7	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:Cl-1:Cl-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(Cl)2{3|C<4>,3|H<1>}	119.3810	0.166	3	119.3810	0.027	3	120.0053	1.686	7	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	119.4140	0.747	2	119.4742	0.273	4	119.2836	0.387	5	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	119.5345	0.497	2	119.4742	0.273	4	119.2836	0.387	5	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(H)2{3|C<4>,3|H<1>}	118.5210	0.000	1	118.5210	0.000	1	119.2836	0.387	5	119.6331	1.032	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	120.5160	0.000	1	120.5160	0.000	1	118.8672	1.739	5	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	118.8010	1.030	3	118.8010	1.061	3	118.8672	1.739	5	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	117.4170	0.000	1	117.4170	0.000	1	118.8672	1.739	5	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){3|C<4>,3|H<1>}	117.9750	0.000	1	117.9750	0.000	1	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){3|C<4>,3|H<1>}	119.3010	0.000	1	119.3010	0.000	1	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	117.7085	1.023	2	118.1453	0.632	4	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	118.5820	0.296	2	118.1453	0.632	4	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	116.6870	0.000	1	116.6870	0.000	1	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	118.4830	1.298	2	118.1497	1.176	3	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	117.4830	0.000	1	118.1497	1.176	3	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	116.7010	0.000	1	116.7010	0.000	1	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	117.8527	1.331	3	117.8527	1.772	3	117.9466	1.006	14	118.1888	1.286	19	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3,6]	C[6]	C[3]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	118.5735	0.549	2	118.5735	0.302	2	118.5735	0.302	2	118.5735	0.302	2	120.2166	9.703	484	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6,6]	C[3]	4:4:2:1:	4:4:4:1:	4:2:4:4:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|C<4>}	123.5020	0.000	1	123.5020	0.000	1	123.5020	0.000	1	123.5020	0.000	1	120.8430	3.957	5	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6,6]	C[3]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[3]-4:C[3]-4:H-1:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6,6]N[5,6,6]C[3x6]H)(C[3]C[3]HH)2(H)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	C[3](C[3]C[6,6]C[3]H)(C[3]C[3]HH)(H)2	C[3](C[6,6]N[5,6,6]C[3x6]H)(C[3]C[3]HH)2(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[3](C[3]C[6,6]C[3]H)(C[3]C[3]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	118.8590	0.140	2	118.8590	0.020	2	118.8590	0.020	2	118.8590	0.020	2	120.8430	3.957	5	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6,6]	C[3]	4:4:4:1:	4:2:4:3:	4:4:1:1:	C[6,6]-4:C[3]-4:C[3]-4:H-1:	C[6]-4:O[6,6]-2:C[3]-4:C[6]-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6,6]O[6,6]C[6]2)(C[3]C[3]HH)2(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H)	C[3](C[3]C[6,6]C[3]H)(C[3]C[3]HH)(H)2	C[3](C[6,6]O[6,6]C[6]2)(C[3]C[3]HH)2(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[3](C[3]C[6,6]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	121.4975	0.097	2	121.4975	0.009	2	121.4975	0.009	2	121.4975	0.009	2	120.8430	3.957	5	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3,5]	4:4:4:3:	4:4:4:2:	4:4:4:1:	C[3,5]-4:C[3,5]-4:C[6]-4:C-3:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[6]C)(C[5]C[5]HH)(H)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO){5|C<4>,6|H<1>}	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	115.9930	2.868	2	115.9930	8.226	2	115.9930	8.226	2	115.9930	8.226	2	118.3890	10.497	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3,5]	4:4:4:3:	4:4:4:2:	4:4:4:4:	C[3,5]-4:C[3,5]-4:C[6]-4:C-3:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[6]C)(C[5]C[5]CH)(CCHH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO){5|C<4>,6|H<1>}	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[6]C)(C[5]C[5]CH)(CCHH){1|O<2>,2|C<4>,4|H<1>}	120.7850	0.549	2	120.7850	0.301	2	120.7850	0.301	2	120.7850	0.301	2	118.3890	10.497	4	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	124.7435	16.756	2	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	127.6380	0.000	1	127.6380	0.000	1	127.6380	0.000	1	127.6380	0.000	1	124.7435	16.756	2	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:1:	4:2:4:1:	4:2:1:1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[6]-2:C[6]-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:1:	4:3:4:4:	4:2:1:1:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	124.3215	0.976	4	124.3215	0.952	4	124.3215	0.952	4	124.3215	0.952	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:1:	4:4:2:1:	4:2:4:1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H){2|C<4>,2|H<1>}	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|H<1>,4|C<4>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>}	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:2:1:	4:2:4:1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3){2|C<4>,2|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,5|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:3:2:	4:2:4:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-3:O-2:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	118.0407	0.588	3	118.0407	0.345	3	118.0407	0.345	3	118.0407	0.345	3	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	118.8750	1.368	2	118.8750	1.870	2	119.1510	1.164	3	118.9375	0.958	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	119.7030	0.000	1	119.7030	0.000	1	119.1510	1.164	3	118.9375	0.958	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	118.9375	0.958	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:4:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	118.3200	0.000	1	119.7347	10.846	3	120.1902	8.061	4	120.1902	8.061	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:4:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	123.4990	0.000	1	119.7347	10.846	3	120.1902	8.061	4	120.1902	8.061	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:4:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	117.3850	0.000	1	119.7347	10.846	3	120.1902	8.061	4	120.1902	8.061	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:1:	4:2:4:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){2|C<4>,2|H<1>,2|O<2>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	121.5570	0.000	1	121.5570	0.000	1	120.1902	8.061	4	120.1902	8.061	4	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:2:4:	4:4:4:3:	4:2:1:1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[3]-4:O[3]-2:H-1:H-1:	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO){1|O<2>,2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:3:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[3]-4:C[3]-3:H-1:	C[6,6]-4:C[3]-4:O[6]-2:H-1:	C[3]-4:C[3]-3:H-1:H-1:	C[3](C[6]C[6,6]O[6]H)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]C)(H)2	C[3](C[6]C[6,6]O[6]H)(C[3]C[3]HH)(C[3]C[3]C)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	120.4500	0.447	2	120.4500	0.200	2	120.4500	0.200	2	121.0707	1.256	3	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:3:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	122.3120	0.000	1	122.3120	0.000	1	122.3120	0.000	1	121.0707	1.256	3	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2{1|H<1>,2|C<4>}	117.1765	0.144	2	117.1765	0.021	2	117.1765	0.021	2	117.1765	0.021	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	2:4:4:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<3>,3|C<4>}	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	125.8660	0.000	1	125.8660	0.000	1	125.8660	0.000	1	125.8660	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	2:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:H-1:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<3>,3|C<4>}	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	3:4:3:1:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H){1|C<4>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|N<3>,3|H<1>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H){1|C<4>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	3:4:3:2:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:Br-1:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6]C[6,6a]C[6a]O[6])(C[3]C[3]HH)2(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[3](C[3]C[3]C[6]Br)(C[3]C[3]HH)(H)2	C[3](C[6]C[6,6a]C[6a]O[6])(C[3]C[3]HH)2(Br){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[3](C[3]C[3]C[6]Br)(C[3]C[3]HH)(H)2{1|O<2>,2|C<3>}	122.3885	0.342	2	122.3885	0.117	2	122.3885	0.117	2	122.3885	0.117	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:2:2:1:	4:4:4:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:S[6]-2:S[6]-2:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[6]S[6]2H)(H)	C[6](C[3]C[3]2H)(S[6]C[6])2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CC[6a]2O)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[6]S[6]2H)(H){2|C<4>}	C[6](C[3]C[3]2H)(S[6]C[6])2(H){4|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CC[6a]2O)(H){1|H<1>,2|S<2>}	125.3550	0.000	1	125.3550	0.000	1	125.3550	0.000	1	125.3550	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:2:2:1:	4:4:4:4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:S[6]-2:S[6]-2:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[6]S[6]2H)(H)	C[6](C[3]C[3]2H)(S[6]C[6])2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[6]S[6]2H)(H){2|C<4>}	C[6](C[3]C[3]2H)(S[6]C[6])2(H){4|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|S<2>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:2:2:4:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:S[6]-2:S[6]-2:C-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H)	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H){2|C<3>,2|C<4>}	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	124.5320	0.000	1	124.5320	0.000	1	124.5320	0.000	1	124.5320	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:2:2:4:	4:4:4:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:S[6]-2:S[6]-2:C-4:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H)	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H){2|C<3>,2|C<4>}	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H){1|C<4>,2|C<3>,2|S<2>}	130.4320	0.000	1	130.4320	0.000	1	130.4320	0.000	1	130.4320	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6]C[5,6]N[6]H)(C[3]C[3]HH)2(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[3](C[6]C[5,6]N[6]H)(C[3]C[3]HH)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	119.6215	0.685	2	119.6215	0.469	2	119.6215	0.469	2	119.6215	0.469	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6]-4:O[6]-2:O-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6]C[6]O[6]O)(C[3]C[3]HH)2(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[3](C[6]C[6]O[6]O)(C[3]C[3]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<4>,4|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|C<4>,2|O<2>}	120.0885	0.442	2	120.0885	0.195	2	120.0885	0.195	2	120.0885	0.195	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:3:3:4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	120.0070	0.000	1	120.0070	0.000	1	120.8923	1.851	3	120.8923	1.851	3	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:3:3:4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	121.3350	1.590	2	121.3350	2.527	2	120.8923	1.851	3	120.8923	1.851	3	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	122.4570	0.000	1	122.4570	0.000	1	119.5897	8.723	3	119.8350	3.820	7	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	118.1560	2.261	2	118.1560	5.114	2	119.5897	8.723	3	119.8350	3.820	7	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[6]C[6,6]C[6]H)(C[3]C[3]HH)2(H)	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[3](C[6]C[6,6]C[6]H)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,7|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	120.0190	1.311	4	120.0190	1.718	4	120.0190	1.718	4	119.8350	3.820	7	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[6]C[5,5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C[3](C[6]C[5,5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[6]C[5,5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[6]C[5,5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|H<1>,2|C<4>}	119.0225	1.002	2	119.0225	1.004	2	119.0225	1.004	2	119.0225	1.004	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	125.0560	0.000	1	121.6293	5.500	7	121.4170	4.335	9	121.4170	4.335	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	121.0582	1.965	6	121.6293	5.500	7	121.4170	4.335	9	121.4170	4.335	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	120.6740	0.515	2	120.6740	0.265	2	121.4170	4.335	9	121.4170	4.335	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|C<4>}	122.1540	0.000	1	121.2963	6.362	7	121.5683	5.094	9	121.5683	5.094	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|C<4>}	121.1533	2.732	6	121.2963	6.362	7	121.5683	5.094	9	121.5683	5.094	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|C<4>}	122.5205	0.500	2	122.5205	0.250	2	121.5683	5.094	9	121.5683	5.094	9	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(H)2{1|O<2>,2|C<4>}	121.6710	0.122	2	121.6710	0.015	2	121.6710	0.015	2	121.6710	0.015	2	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:3:	4:3:4:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,7|H<1>}	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<4>,2|H<1>,3|C<3>}	124.6100	0.000	1	124.6100	0.000	1	124.6100	0.000	1	124.6100	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,7|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{2|C<4>,3|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3){2|C<3>,4|H<1>}	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2{1|H<1>,2|C<4>}	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3){2|C<3>,4|H<1>}	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2{1|H<1>,2|C<4>}	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:Br-1:Br-1:	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Br)2	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Br)2{1|H<1>,2|C<4>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(Cl)2{1|H<1>,2|C<4>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]Br2)(H)2	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]Br2)(H)2{1|H<1>,2|C<4>}	117.8340	0.000	1	117.8340	0.000	1	118.0565	0.099	2	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	0:SP3_SP3_SP3	C[3]	C[6]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[3](C[3]C[3]C[6]C)(C[3]C[3]Cl2)(H)2{1|H<1>,2|C<4>}	118.2790	0.000	1	118.2790	0.000	1	118.0565	0.099	2	117.7398	0.405	6	120.9078	6.772	80	120.3414	11.010	1031
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[3x6]	C[3,5,6,6]	4:4:4:2:	4:4:3:4:	4:3:4:2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,3x6]-4:C[3x6]-3:N-4:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH)	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH){3|C<4>,3|O<2>,5|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[4x6]	C[3,6,6]	4:4:4:4:	4:4:2:4:	4:4:4:3:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6,6]	4:4:4:2:	4:4:2:2:	4:3:4:2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	116.1180	0.000	1	116.1180	0.000	1	116.1180	0.000	1	116.1180	0.000	1	116.9649	1.997	9	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-3:H-1:H-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	116.5570	0.321	3	116.5570	0.103	3	116.5570	0.103	3	116.5570	0.103	3	116.9649	1.997	9	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	116.9649	1.997	9	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6,6]	4:4:4:4:	4:4:3:4:	4:4:4:4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	118.4827	0.463	3	118.4827	0.215	3	118.4827	0.215	3	118.4827	0.215	3	116.9649	1.997	9	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6,6]	4:4:4:4:	4:4:4:4:	4:4:4:3:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	116.9649	1.997	9	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-3:H-1:H-1:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H){2|C<3>,3|C<4>,7|H<1>}	117.1803	0.228	3	117.1803	0.052	3	117.1803	0.052	3	117.1803	0.052	3	117.8508	1.833	4	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,3x6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	117.8508	1.833	4	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,4,4x6]	C[6]	C[3,4,4x6]	6:5:4:4:	4:3:1:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	116.1430	0.665	4	116.1430	0.442	4	116.1430	0.442	4	116.1430	0.442	4	116.1430	0.442	4	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[3,5,6,6]	4:3:4:2:	4:4:3:4:	4:4:3:2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,3x6]-4:C[3x6]-3:N-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH){3|C<4>,3|O<2>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[3,5,6]	4:4:4:3:	4:4:4:1:	4:4:3:4:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[3,6,6]	4:4:4:4:	4:3:3:1:	4:4:4:1:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,5]-4:C[3x6]-4:H-1:	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H)	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[3x6]	C[3,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[3,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	121.8053	0.326	3	121.8053	0.106	3	121.8053	0.106	3	121.8053	0.106	3	121.8053	0.106	3	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6,6]	C[6]	C[3,5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:3:4:	4:4:4:3:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,5,6]	4:4:3:4:	4:3:1:1:	4:4:3:4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	123.1835	11.182	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6,6]	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	125.5480	0.000	1	125.5480	0.000	1	125.5480	0.000	1	125.5480	0.000	1	123.1835	11.182	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:2:4:4:	4:3:1:1:	4:2:4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	121.4260	0.000	1	121.4260	0.000	1	121.7860	0.259	2	121.7860	0.259	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:2:4:4:	4:3:1:1:	4:2:4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	122.1460	0.000	1	122.1460	0.000	1	121.7860	0.259	2	121.7860	0.259	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	123.6585	0.062	2	123.6585	0.004	2	123.6585	0.004	2	123.6585	0.004	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:2:	4:3:1:1:	4:4:4:2:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:N[6,6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:3:4:3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	118.9735	0.221	2	118.9735	0.049	2	118.9735	0.049	2	118.9735	0.049	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[5]-3:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	122.0445	0.499	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	121.5450	0.000	1	121.5450	0.000	1	121.5450	0.000	1	122.0445	0.499	2	121.4064	2.526	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	3:4:3:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:3:4:4:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	115.1355	0.129	2	115.1355	0.017	2	115.1355	0.017	2	115.1355	0.017	2	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	118.0140	0.028	2	118.0140	0.001	2	117.8770	0.057	3	117.8770	0.057	3	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	117.6030	0.000	1	117.6030	0.000	1	117.8770	0.057	3	117.8770	0.057	3	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H)	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	120.2880	0.000	1	120.2880	0.000	1	120.0040	8.176	7	120.0040	8.176	7	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	121.2890	0.000	1	121.2890	0.000	1	120.0040	8.176	7	120.0040	8.176	7	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	121.2510	0.838	3	121.2510	0.701	3	120.0040	8.176	7	120.0040	8.176	7	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,5,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	117.3490	5.211	2	117.3490	27.158	2	120.0040	8.176	7	120.0040	8.176	7	118.9275	7.994	14	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,3x6]	4:4:2:1:	4:4:3:1:	4:4:3:2:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H)	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	112.0585	0.517	2	112.0585	0.267	2	112.0585	0.267	2	112.0585	0.267	2	112.0585	0.267	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,5,6,6]	4:4:4:1:	4:3:3:1:	4:4:4:4:	C[3,5,6,6]-4:C[3,5]-4:C[3x6]-4:H-1:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H)	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	110.6430	0.492	4	110.6430	0.242	4	110.6430	0.242	4	110.6430	0.242	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	3:4:3:1:	4:4:2:3:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H){1|H<1>,2|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H){1|C<4>,1|F<1>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H){1|F<1>,2|O<2>,4|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[5,3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<2>,1|N<3>,2|C<4>,4|H<1>}	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	109.8579	0.545	7	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	109.6237	0.372	3	109.6237	0.138	3	109.6152	0.159	6	109.8579	0.545	7	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|F<1>,2|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	109.6067	0.510	3	109.6067	0.260	3	109.6152	0.159	6	109.8579	0.545	7	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	111.9165	0.180	2	111.9165	0.033	2	111.9165	0.033	2	111.3330	1.093	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H){1|F<1>,2|O<2>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H){1|H<1>,2|C<4>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	111.3330	1.093	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H)	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>}	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.3330	1.093	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:3:	3:4:3:4:	4:4:2:1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:4:	3:4:3:1:	4:4:2:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	110.3880	0.167	2	110.3880	0.028	2	110.3880	0.028	2	110.3880	0.028	2	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3)	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3){3|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	110.0130	0.534	3	110.0130	0.285	3	110.0130	0.285	3	110.0130	0.285	3	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H)	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H){2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[3,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(H){2|H<1>,3|C<3>}	110.2280	0.615	2	110.2280	0.378	2	110.2280	0.378	2	110.0182	0.198	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|N<3>,2|C<3>,2|H<1>}	109.6670	0.000	1	109.6670	0.000	1	109.8085	0.040	2	110.0182	0.198	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|N<3>,2|C<3>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.9500	0.000	1	109.9500	0.000	1	109.8085	0.040	2	110.0182	0.198	4	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3,6,6]-4:C[3]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[3]-4:C[3x6]-4:H-1:	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H)	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	110.8263	0.609	4	110.8263	0.371	4	110.8263	0.371	4	110.7025	0.161	10	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	110.6345	0.428	2	110.6200	0.046	6	110.6200	0.046	6	110.7025	0.161	10	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	110.6128	0.127	4	110.6200	0.046	6	110.6200	0.046	6	110.7025	0.161	10	110.4549	0.552	38	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[4x6]	C[3,6,6]	4:4:2:2:	4:4:4:4:	4:2:4:4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	122.6540	0.000	1	122.6540	0.000	1	122.6540	0.000	1	122.6540	0.000	1	122.6540	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,3x6]	4:3:4:1:	4:4:1:1:	4:3:4:4:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	118.3535	1.950	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,3x6]	4:4:4:3:	4:4:4:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	118.3535	1.950	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	119.2880	0.000	1	119.2880	0.000	1	121.0865	6.469	2	121.0865	6.469	2	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	122.8850	0.000	1	122.8850	0.000	1	121.0865	6.469	2	121.0865	6.469	2	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	121.8630	0.000	1	121.8630	0.000	1	120.4970	3.732	2	121.1023	2.965	3	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	119.1310	0.000	1	119.1310	0.000	1	120.4970	3.732	2	121.1023	2.965	3	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2{1|H<1>,7|C<4>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	122.3130	0.000	1	122.3130	0.000	1	122.3130	0.000	1	121.1023	2.965	3	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,5,6]	4:4:4:2:	4:4:4:1:	4:4:2:4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	121.1887	2.532	6	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:2:3:	4:4:4:4:	4:2:3:3:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:2:4:	4:4:4:1:	4:2:4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:2:4:	4:4:4:4:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[4,6,6]-4:C-4:	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[3]C[3,6,6]C[6a]H)(C[4,6,6]C[4,6]2H)(CH3)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[3]C[3,6,6]C[6a]H)(C[4,6,6]C[4,6]2H)(CH3){2|C<3>,3|C<4>,4|H<1>}	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	117.6218	0.359	5	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[4,6,6]-4:C[3]-4:C-4:	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[4,6,6]C[4,6]2H)(C[3]C[3,6,6]CH)(CH3)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H){2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[4,6,6]C[4,6]2H)(C[3]C[3,6,6]CH)(CH3){3|C<4>,4|H<1>}	117.8132	0.484	4	117.8132	0.234	4	117.8132	0.234	4	117.6218	0.359	5	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:2:	4:4:4:4:	4:2:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:2:	4:4:4:4:	4:4:3:2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	116.7815	0.011	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	116.7815	0.011	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	120.0980	0.000	1	120.0980	0.000	1	120.0980	0.000	1	121.9165	6.614	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	121.9165	6.614	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:3:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	116.2550	0.000	1	116.2550	0.000	1	116.7345	0.460	2	116.7345	0.460	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:3:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	117.2140	0.000	1	117.2140	0.000	1	116.7345	0.460	2	116.7345	0.460	2	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	120.4335	0.335	4	120.4204	0.117	16	120.3661	0.160	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	120.4630	0.498	3	120.4204	0.117	16	120.3661	0.160	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	120.7480	0.000	1	120.4204	0.117	16	120.3661	0.160	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	120.3570	0.332	8	120.4204	0.117	16	120.3661	0.160	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.4960	0.000	1	119.4960	0.000	1	120.3661	0.160	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	118.3970	0.000	1	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	117.9240	0.000	1	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	118.3090	0.000	1	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	118.1610	1.254	2	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	118.4010	0.000	1	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	117.7580	0.107	3	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	118.2084	0.504	8	118.1349	0.254	17	118.1349	0.254	17	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	119.2538	1.406	37	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:4:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	119.0092	2.343	57	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:2:3:	4:4:4:4:	4:2:3:1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	116.6550	0.637	3	116.7318	0.294	4	116.7318	0.294	4	116.7318	0.294	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:2:3:	4:4:4:4:	4:2:3:1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	116.9620	0.000	1	116.7318	0.294	4	116.7318	0.294	4	116.7318	0.294	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:2:3:	4:4:4:4:	4:2:3:4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:2:	4:4:3:1:	C[6,6]-4:C[3,6]-4:C[3,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H){2|H<1>,5|C<3>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.2306	1.775	10	117.2306	3.152	10	117.2306	3.152	10	117.2306	3.152	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:4:	4:4:3:4:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:3:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	120.7770	0.471	2	120.7770	0.222	2	120.7770	0.222	2	120.7770	0.222	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:2:3:	4:2:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	117.9540	0.000	1	117.9540	0.000	1	118.9310	1.909	2	118.9310	1.909	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	119.9080	0.000	1	119.9080	0.000	1	118.9310	1.909	2	118.9310	1.909	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:2:	4:2:3:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:2:3:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	117.5637	0.404	4	117.5637	0.164	4	117.5637	0.164	4	117.5637	0.164	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	121.8920	0.000	1	121.8920	0.000	1	121.2023	0.508	3	120.8546	0.482	5	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	120.4680	0.000	1	120.4680	0.000	1	121.2023	0.508	3	120.8546	0.482	5	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.2470	0.000	1	121.2470	0.000	1	121.2023	0.508	3	120.8546	0.482	5	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	120.3330	0.059	2	120.3330	0.004	2	120.3330	0.004	2	120.8546	0.482	5	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:3:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	120.8780	1.514	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	120.8780	1.514	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	119.3297	0.816	7	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|C<4>}	119.4845	0.131	2	119.4845	0.017	2	119.4845	0.017	2	119.3297	0.816	7	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	119.3297	0.816	7	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	119.4875	0.807	2	118.9760	1.110	3	118.9760	1.110	3	119.3297	0.816	7	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	117.9530	0.000	1	118.9760	1.110	3	118.9760	1.110	3	119.3297	0.816	7	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:2:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	115.5826	4.041	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	116.1020	0.000	1	115.3129	1.157	8	115.0671	1.556	9	115.5826	4.041	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	114.6010	0.500	5	115.3129	1.157	8	115.0671	1.556	9	115.5826	4.041	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	116.6980	0.327	2	115.3129	1.157	8	115.0671	1.556	9	115.5826	4.041	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:3:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	113.1010	0.000	1	113.1010	0.000	1	115.0671	1.556	9	115.5826	4.041	10	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:4:1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:2:4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	121.1218	1.609	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	122.2060	0.000	1	122.2060	0.000	1	121.7323	0.176	3	121.1218	1.609	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	121.4955	0.127	2	121.4955	0.016	2	121.7323	0.176	3	121.1218	1.609	4	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:3:	4:4:3:2:	4:4:3:1:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.5808	1.570	12	114.5808	2.464	12	114.5808	2.464	12	114.5808	2.464	12	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:3:4:	4:4:4:1:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H)	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>}	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[3]-4:C-4:	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH)	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	118.7760	2.085	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH){3|C<4>,5|H<1>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	118.7760	2.085	2	117.8253	7.116	77	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	115.2890	2.690	2	115.2890	7.235	2	115.2890	7.235	2	115.2890	7.235	2	115.2890	7.235	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:3:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	121.5790	0.000	1	121.5790	0.000	1	121.5790	0.000	1	121.5790	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:3:1:1:	4:2:4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	120.8730	0.214	2	120.8730	0.046	2	120.8730	0.046	2	120.8730	0.046	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	120.1710	0.314	2	120.1710	0.099	2	120.1710	0.099	2	120.1710	0.099	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:2:2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	120.4550	0.000	1	120.4550	0.000	1	120.0060	0.403	2	120.0060	0.403	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:2:2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	119.5570	0.000	1	119.5570	0.000	1	120.0060	0.403	2	120.0060	0.403	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.5080	0.234	2	120.5080	0.234	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	120.8500	0.000	1	120.8500	0.000	1	120.5080	0.234	2	120.5080	0.234	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	119.6220	0.000	1	119.6220	0.000	1	120.8240	2.890	2	120.8240	2.890	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	122.0260	0.000	1	122.0260	0.000	1	120.8240	2.890	2	120.8240	2.890	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:3:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	118.5810	0.885	2	118.5810	0.784	2	118.5810	0.784	2	118.5810	0.784	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	120.3235	0.370	2	120.3235	0.137	2	120.3235	0.137	2	120.0902	0.196	4	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	119.8570	0.484	2	119.8570	0.234	2	119.8570	0.234	2	120.0902	0.196	4	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:3:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	119.8895	1.570	2	119.8895	2.466	2	119.8895	2.466	2	119.9910	0.905	4	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:3:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	120.0925	0.456	2	120.0925	0.208	2	120.0925	0.208	2	119.9910	0.905	4	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	121.6665	0.470	2	121.6665	0.221	2	121.6665	0.221	2	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	120.5435	1.029	2	120.5435	1.059	2	120.1815	0.675	4	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	119.8195	0.664	2	119.8195	0.441	2	120.1815	0.675	4	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	120.4595	0.398	2	120.4595	0.158	2	120.4958	0.124	6	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	120.1760	0.024	2	120.5140	0.153	4	120.4958	0.124	6	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	120.8520	0.027	2	120.5140	0.153	4	120.4958	0.124	6	120.5519	0.462	14	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:2:	4:4:1:1:	4:2:3:4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2{2|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:2:	4:4:4:4:	4:2:3:4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.4745	0.435	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.4745	0.435	2	120.0814	1.933	42	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:3:4:3:	4:4:1:1:	4:3:4:1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:3:2:	4:4:3:3:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	119.1045	0.255	2	119.1045	0.065	2	119.1045	0.065	2	119.1045	0.065	2	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	116.6635	0.483	2	116.6635	0.233	2	116.6635	0.233	2	116.6635	0.233	2	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	118.6790	0.000	1	118.6790	0.000	1	118.6790	0.000	1	118.6790	0.000	1	117.8184	1.740	11	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[3x6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,5,6]	4:4:2:1:	4:4:4:1:	4:3:2:2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	121.2970	4.576	3	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,5,6]	4:4:2:1:	4:4:4:4:	4:4:2:3:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	123.7540	0.000	1	123.7540	0.000	1	123.7540	0.000	1	123.7540	0.000	1	121.2970	4.576	3	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,5,6]	4:4:2:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3)	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	121.2970	4.576	3	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	123.5330	1.369	2	123.5330	1.874	2	123.5330	1.874	2	123.5330	1.874	2	123.5330	1.874	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	3:4:3:4:	4:3:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	3:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|C<3>,3|C<4>}	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:3:2:2:	4:2:3:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	123.0660	0.000	2	122.8595	0.057	4	122.8270	0.048	5	122.6407	0.247	6	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:3:2:2:	4:2:3:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	122.6530	0.000	2	122.8595	0.057	4	122.8270	0.048	5	122.6407	0.247	6	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:3:2:2:	4:2:3:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	122.6970	0.000	1	122.6970	0.000	1	122.8270	0.048	5	122.6407	0.247	6	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:3:2:2:	4:2:3:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:O-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH){2|C<3>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	122.6407	0.247	6	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[6]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<2>}	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	118.5050	0.734	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6]-4:O[6]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	118.5050	0.734	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:3:4:	4:2:3:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	120.1360	0.000	1	121.3887	1.177	3	121.3887	1.177	3	121.3887	1.177	3	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:3:4:	4:2:3:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	122.0150	0.000	2	121.3887	1.177	3	121.3887	1.177	3	121.3887	1.177	3	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H){2|H<1>,6|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H){1|C<3>,3|H<1>,4|C<4>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	121.6550	0.791	4	121.6550	0.626	4	121.5371	0.471	7	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,7|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	120.6780	0.000	1	120.6780	0.000	1	121.5371	0.471	7	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	121.9280	0.000	1	121.7310	0.078	2	121.5371	0.471	7	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	121.5340	0.000	1	121.7310	0.078	2	121.5371	0.471	7	120.9950	1.876	9	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	120.7980	0.044	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	120.7980	0.044	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:3:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:3:2:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|H<1>,5|C<4>}	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.9720	0.039	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|O<2>,4|C<4>}	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	120.9720	0.039	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|O<2>,2|C<4>,2|H<1>}	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	122.1325	0.024	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	122.1325	0.024	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	121.8480	0.000	1	121.8480	0.000	1	122.8445	1.986	2	122.1803	0.728	7	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	123.8410	0.000	1	123.8410	0.000	1	122.8445	1.986	2	122.1803	0.728	7	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	122.1803	0.728	7	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	122.4800	0.000	1	122.4800	0.000	1	121.8785	0.374	4	122.1803	0.728	7	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	121.6780	0.565	3	121.6780	0.320	3	121.8785	0.374	4	122.1803	0.728	7	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	119.2770	0.039	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.2770	0.039	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:4:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	122.1750	0.000	1	120.8840	1.448	3	120.8840	1.448	3	120.8840	1.448	3	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:2:4:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	120.2385	0.629	2	120.8840	1.448	3	120.8840	1.448	3	120.8840	1.448	3	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:3:4:1:	3:4:4:1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|H<1>}	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:4:	4:4:3:1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-3:C[3]-4:H-1:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	118.4495	0.022	2	118.4495	0.000	2	118.4495	0.000	2	118.4495	0.000	2	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:C-4:	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3)	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H){4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3){1|N<3>,2|C<4>,5|H<1>}	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	118.7976	2.434	5	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	118.1620	0.071	2	118.1620	0.005	2	118.1017	0.017	4	118.7976	2.434	5	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	118.0415	0.180	2	118.0415	0.033	2	118.1017	0.017	4	118.7976	2.434	5	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[3]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3)	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H){4|C<4>,4|H<1>}	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	120.6240	3.261	56	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,3,6]	4:4:4:1:	4:2:1:1:	4:4:4:4:	C[3,3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:C[3]-4:	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2	C[3,3,6](C[3,6]C[3]C[6]H)2(C[3]C[3,6]HH)2	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[3,3,6](C[3,6]C[3]C[6]H)2(C[3]C[3,6]HH)2{1|O<1>,1|O<2>,2|H<1>}	110.4655	0.100	2	110.4655	0.010	2	110.4655	0.010	2	110.4655	0.010	2	110.4655	0.010	2	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4,6]	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[3,4,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<4>,4|H<1>}	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	118.0686	4.257	5	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,4,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[3,6]-4:C[3]-4:	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,4,6](C[4,6]C[4,6]C[6]O)2(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,4,6](C[4,6]C[4,6]C[6]O)2(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){2|C<3>,3|C<4>,4|H<1>}	118.1765	0.291	2	118.1765	0.084	2	118.1765	0.084	2	118.1765	0.084	2	118.0686	4.257	5	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,4,6]-4:C[3,4,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[3,6]-4:H-1:	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]N[6])(C[4,6,6]C[4,6,6]C[6]N[6])(C[3,6]C[3,4,6]C[6]O)(H)	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]N[6])(C[4,6,6]C[4,6,6]C[6]N[6])(C[3,6]C[3,4,6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	118.6960	13.971	2	118.0686	4.257	5	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,4,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,4,6]-4:C[3,4]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[3,4]-4:C[3,6]-4:H-1:	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	C[3,4,6](C[4,6,6]C[6,6]C[4]C[6])(C[3,4]C[3,6]C[4]C)(C[3,6]C[3,4]C[6]O)(H)	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[3,4,6](C[4,6,6]C[6,6]C[4]C[6])(C[3,4]C[3,6]C[4]C)(C[3,6]C[3,4]C[6]O)(H){4|C<4>,6|H<1>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	118.6960	13.971	2	118.0686	4.257	5	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6,6]	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[3,5,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	120.3863	0.218	3	120.3863	0.047	3	120.3863	0.047	3	120.3863	0.047	3	120.0892	0.385	4	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	120.0892	0.385	4	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.2375	0.504	2	121.2375	0.254	2	121.2375	0.254	2	121.2375	0.254	2	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:2:4:1:	4:4:4:1:	4:4:3:2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:2:4:4:	4:4:4:2:	4:4:4:2:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|H<1>}	120.2585	0.728	2	120.2585	0.529	2	120.2585	0.529	2	120.2585	0.529	2	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:3:4:1:	4:2:2:1:	4:3:4:1:	C[3,5,6]-4:N[3,5]-3:C[6]-4:H-1:	C[3,6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	120.6955	0.161	2	120.6955	0.026	2	120.6955	0.026	2	120.6955	0.026	2	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:2:1:	4:4:4:2:	4:4:4:2:	C[3,5,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:2:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,5|H<1>}	122.1365	0.409	2	122.1365	0.168	2	122.1365	0.168	2	122.1365	0.168	2	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[3,5,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	120.4980	1.573	2	120.4980	2.473	2	120.4980	2.473	2	120.4980	2.473	2	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:B[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]B[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,3|C<3>}	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[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>}	121.1920	0.865	2	121.0213	0.462	3	121.0213	0.462	3	121.3688	0.519	5	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|C<4>,1|S<4>,6|H<1>}	120.6800	0.000	1	121.0213	0.462	3	121.0213	0.462	3	121.3688	0.519	5	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H)	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.8900	0.496	2	121.8900	0.246	2	121.8900	0.246	2	121.3688	0.519	5	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:O-2:	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC)	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC){1|O<1>,3|C<4>,3|H<1>}	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	121.5900	0.000	1	121.5900	0.000	1	120.2950	2.264	8	120.2950	2.264	8	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	119.6570	0.000	1	119.6570	0.000	1	120.2950	2.264	8	120.2950	2.264	8	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	120.9162	0.345	4	120.9162	0.119	4	120.2950	2.264	8	120.2950	2.264	8	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	118.7240	2.632	2	118.7240	6.927	2	120.2950	2.264	8	120.2950	2.264	8	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	120.4999	2.369	32	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:2:4:1:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2{2|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:2:4:1:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H){1|C<3>,2|C<4>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:2:4:1:	4:4:1:1:	4:3:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:3:4:1:	4:2:1:1:	4:3:4:3:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	3:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H)	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2{2|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	121.1075	0.224	4	121.1075	0.050	4	121.1075	0.050	4	121.1075	0.050	4	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:3:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:3:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	124.1160	0.190	2	124.1160	0.036	2	124.1044	0.252	7	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	124.9360	0.000	1	124.1188	0.490	4	124.1044	0.252	7	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	123.9140	0.000	1	124.1188	0.490	4	124.1044	0.252	7	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	123.8125	0.756	2	124.1188	0.490	4	124.1044	0.252	7	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	124.0240	0.000	1	124.0240	0.000	1	124.1044	0.252	7	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H){2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.6095	1.091	2	122.5675	0.436	4	122.3308	0.607	5	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	122.5255	0.333	2	122.5675	0.436	4	122.3308	0.607	5	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.3840	0.000	1	121.3840	0.000	1	122.3308	0.607	5	123.0165	1.488	15	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H){1|H<1>,2|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	123.0000	0.000	1	123.0000	0.000	1	123.1175	0.028	2	123.1175	0.028	2	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|H<1>,2|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	123.2350	0.000	1	123.2350	0.000	1	123.1175	0.028	2	123.1175	0.028	2	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:3:	4:3:2:1:	4:3:2:3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	116.7370	0.000	1	116.6863	0.088	3	116.6863	0.088	3	116.6863	0.088	3	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:2:3:	4:3:2:1:	4:3:2:3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	116.6610	0.416	2	116.6863	0.088	3	116.6863	0.088	3	116.6863	0.088	3	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:3:4:	4:3:1:1:	4:4:4:3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	118.1750	0.318	2	118.1750	0.101	2	118.1750	0.101	2	118.1750	0.101	2	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[5a]C[6])(C[3,6,6]C[3,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	119.1720	0.365	2	119.1720	0.133	2	119.1720	0.133	2	119.1720	0.133	2	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	123.4860	0.000	1	123.4860	0.000	1	123.0105	0.452	2	121.1895	6.736	4	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	122.5350	0.000	1	122.5350	0.000	1	123.0105	0.452	2	121.1895	6.736	4	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	121.1895	6.736	4	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[3,6]-4:C[3]-4:	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	121.1895	6.736	4	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3,6]-4:C[3,6]-4:H-1:	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[3,6]C[3,6]C[6]H)2(H)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[3,6]C[3,6]C[6]H)2(H){1|O<1>,3|O<2>,4|C<4>,4|H<1>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	122.7590	0.000	1	122.7590	0.000	1	122.7590	0.000	1	122.7590	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[3,6,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH){3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	121.2716	4.750	47	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	3:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	120.9620	0.000	1	120.9620	0.000	1	121.2520	0.168	2	121.2520	0.168	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	3:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	121.5420	0.000	1	121.5420	0.000	1	121.2520	0.168	2	121.2520	0.168	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:3:1:1:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	121.8125	0.271	2	121.8125	0.073	2	122.2987	0.746	3	122.2987	0.746	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:3:1:1:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	123.2710	0.000	1	123.2710	0.000	1	122.2987	0.746	3	122.2987	0.746	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:3:2:1:	3:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:N[6]-3:C-2:H-1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	118.4295	0.366	2	118.4295	0.134	2	118.4295	0.134	2	118.4295	0.134	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	119.3160	0.000	1	119.3160	0.000	1	118.4975	1.340	2	118.4975	1.340	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	117.6790	0.000	1	117.6790	0.000	1	118.4975	1.340	2	118.4975	1.340	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:3:3:3:	C[3,6]-4:C[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-3:C[6]-3:C-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	120.9665	0.402	2	120.9665	0.162	2	120.9130	0.059	4	120.9130	0.059	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	120.8595	0.049	2	120.8595	0.002	2	120.9130	0.059	4	120.9130	0.059	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:4:1:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:1:	4:4:4:2:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:2:	4:4:1:1:	4:2:3:1:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:3:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	116.7260	0.000	1	117.5637	0.534	3	117.5637	0.534	3	117.5637	0.534	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:3:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	117.9825	0.125	2	117.5637	0.534	3	117.5637	0.534	3	117.5637	0.534	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	118.7480	0.000	1	118.7480	0.000	1	119.7485	2.002	2	119.7485	2.002	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	120.7490	0.000	1	120.7490	0.000	1	119.7485	2.002	2	119.7485	2.002	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:3:4:4:	4:4:4:1:	4:3:4:1:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	121.0940	0.274	3	121.0940	0.075	3	121.2013	0.096	4	120.6800	0.407	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	121.5230	0.000	1	121.5230	0.000	1	121.2013	0.096	4	120.6800	0.407	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.1517	0.438	3	120.1587	0.128	4	120.1587	0.128	4	120.6800	0.407	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,2|C<4>,5|H<1>}	120.1800	0.000	1	120.1587	0.128	4	120.1587	0.128	4	120.6800	0.407	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.4730	0.000	1	122.4730	0.000	1	122.6235	0.045	2	122.6235	0.045	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.7740	0.000	1	122.7740	0.000	1	122.6235	0.045	2	122.6235	0.045	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	3:4:4:2:	4:4:2:1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	121.0070	0.008	2	121.0070	0.000	2	121.0070	0.000	2	121.0070	0.000	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:2:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H)	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H){2|C<4>,2|H<1>}	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:2:4:2:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	121.3150	0.318	2	121.3150	0.101	2	121.3150	0.101	2	120.0214	1.843	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,3|H<1>}	119.8560	0.000	1	119.8560	0.000	1	118.7900	2.273	2	120.0214	1.843	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	117.7240	0.000	1	117.7240	0.000	1	118.7900	2.273	2	120.0214	1.843	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	118.7580	0.000	1	118.7580	0.000	1	119.9800	1.151	3	120.0214	1.843	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	120.5910	0.247	2	120.5910	0.061	2	119.9800	1.151	3	120.0214	1.843	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.9195	0.958	2	120.9195	0.918	2	120.9195	0.918	2	120.9195	0.918	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	122.5190	0.000	1	122.5190	0.000	1	121.5654	0.924	5	121.5654	0.924	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	122.6790	0.000	1	122.6790	0.000	1	121.5654	0.924	5	121.5654	0.924	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	121.1550	0.000	1	121.1550	0.000	1	121.5654	0.924	5	121.5654	0.924	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	120.7890	0.000	1	120.7370	0.005	2	121.5654	0.924	5	121.5654	0.924	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	120.6850	0.000	1	120.7370	0.005	2	121.5654	0.924	5	121.5654	0.924	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:4:1:	4:4:3:2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:4:2:	3:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:3:4:4:	4:2:3:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	121.4010	0.861	2	121.4010	0.742	2	121.4010	0.742	2	121.4010	0.742	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:2:3:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	122.7310	0.151	2	122.7310	0.023	2	120.8597	10.517	3	120.8597	10.517	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:2:3:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	117.1170	0.000	1	117.1170	0.000	1	120.8597	10.517	3	120.8597	10.517	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	121.8485	0.146	2	121.8485	0.021	2	121.8485	0.021	2	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	122.5710	0.638	2	122.5710	0.407	2	122.5640	0.430	6	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	122.9615	0.230	2	122.5605	0.581	4	122.5640	0.430	6	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	122.1595	1.023	2	122.5605	0.581	4	122.5640	0.430	6	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(H)2	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)2(H)2{1|C<4>,2|H<1>}	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.7610	0.024	2	121.7610	0.001	2	121.7610	0.001	2	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	117.7360	1.496	2	117.7360	2.239	2	117.7360	2.239	2	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	120.9877	0.554	3	121.1657	0.384	6	121.1657	0.384	6	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	121.3437	0.747	3	121.1657	0.384	6	121.1657	0.384	6	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	120.2860	0.000	1	120.2860	0.000	1	121.0782	0.511	5	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	121.0567	0.583	3	121.0567	0.340	3	121.0782	0.511	5	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|S<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	121.9350	0.000	1	121.9350	0.000	1	121.0782	0.511	5	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){5|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|O<2>,4|C<4>,5|H<1>}	122.7990	1.041	3	122.7990	1.083	3	122.7990	1.083	3	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<4>,5|H<1>}	120.8570	0.000	1	120.8570	0.000	1	120.9280	0.010	2	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.9990	0.000	1	120.9990	0.000	1	120.9280	0.010	2	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	120.4403	0.201	4	120.4403	0.040	4	120.4403	0.040	4	121.3207	1.783	33	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|C<4>,2|H<1>}	119.6615	0.149	2	119.6615	0.022	2	119.6615	0.022	2	119.6615	0.022	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	124.4230	0.000	1	124.4230	0.000	1	123.7622	0.455	4	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	122.9510	0.000	1	122.9510	0.000	1	123.7622	0.455	4	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	123.4770	0.000	1	123.8375	0.260	2	123.7622	0.455	4	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	124.1980	0.000	1	123.8375	0.260	2	123.7622	0.455	4	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	120.6650	0.000	1	120.6650	0.000	1	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	121.8090	0.000	1	121.8090	0.000	1	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH){1|C<4>,4|H<1>}	122.8810	0.000	1	122.8810	0.000	1	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	120.3810	0.000	1	120.3810	0.000	1	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	123.0580	0.585	2	123.0580	0.343	2	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	123.5470	0.000	1	123.5470	0.000	1	122.1999	1.652	7	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	122.0180	0.000	1	122.0180	0.000	1	122.4480	0.442	5	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	122.4287	0.820	3	122.4287	0.672	3	122.4480	0.442	5	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	122.9360	0.000	1	122.9360	0.000	1	122.4480	0.442	5	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	122.6340	1.203	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.6405	0.682	2	121.6405	0.466	2	121.6405	0.466	2	121.6405	0.466	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1810	0.000	1	118.1810	0.000	1	117.7510	0.437	3	117.7510	0.437	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	117.5360	0.772	2	117.5360	0.596	2	117.7510	0.437	3	117.7510	0.437	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.0103	0.612	3	122.0103	0.375	3	121.3900	0.922	5	121.3900	0.922	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.3000	0.000	1	120.3000	0.000	1	121.3900	0.922	5	121.3900	0.922	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	120.6190	0.000	1	120.6190	0.000	1	121.3900	0.922	5	121.3900	0.922	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|H<1>,2|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.2810	0.000	1	121.2810	0.000	1	121.2810	0.000	1	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	118.5750	0.000	1	118.5750	0.000	1	118.5750	0.000	1	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	118.5922	0.709	5	118.5922	0.503	5	118.9946	0.433	14	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	119.6167	0.387	4	119.6167	0.150	4	118.9946	0.433	14	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	118.8992	0.438	5	118.8992	0.192	5	118.9946	0.433	14	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	121.2155	0.462	2	121.2155	0.213	2	121.2155	0.213	2	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	118.5215	0.440	4	118.8248	0.339	6	118.8248	0.339	6	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	119.4315	0.095	2	118.8248	0.339	6	118.8248	0.339	6	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	121.8230	0.165	2	121.8230	0.027	2	121.1327	0.738	7	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	121.1565	0.439	2	121.1565	0.193	2	121.1327	0.738	7	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1670	0.000	1	121.1670	0.000	1	121.1327	0.738	7	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	121.4470	0.000	1	121.4470	0.000	1	121.1327	0.738	7	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	119.3560	0.000	1	119.3560	0.000	1	121.1327	0.738	7	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|O<2>,4|H<1>}	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	119.7974	1.843	34	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	122.0560	2.042	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|H<1>,2|C<4>,2|O<2>}	122.9050	0.000	1	122.9050	0.000	1	122.9050	0.000	1	122.0560	2.042	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	122.8570	0.000	1	122.8570	0.000	1	122.8570	0.000	1	122.0560	2.042	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	3:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H){1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:3:2:3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	121.7870	0.000	1	121.7870	0.000	1	121.4908	0.305	5	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	121.2960	0.000	1	121.2960	0.000	1	121.4908	0.305	5	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	121.5235	1.032	2	121.5235	1.064	2	121.4908	0.305	5	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	121.3240	0.000	1	121.3240	0.000	1	121.4908	0.305	5	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5710	0.024	2	122.5710	0.001	2	122.5710	0.001	2	121.6523	0.476	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	116.7850	0.000	1	116.6593	0.020	4	116.6593	0.020	4	116.6593	0.020	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	116.6173	0.138	3	116.6593	0.020	4	116.6593	0.020	4	116.6593	0.020	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	121.2710	0.194	2	121.2710	0.038	2	121.2710	0.038	2	121.2710	0.038	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,6|C<4>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	117.9630	0.033	2	117.9630	0.001	2	117.9630	0.001	2	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7890	0.000	1	119.7890	0.000	1	120.3758	0.440	5	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	120.5225	0.666	4	120.5225	0.443	4	120.3758	0.440	5	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	121.9940	0.000	1	121.9940	0.000	1	122.1340	0.039	2	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.1340	0.039	2	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:S-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|S<4>,3|H<1>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	120.5097	2.026	12	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH){2|C<4>,3|H<1>}	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH){2|C<4>,3|H<1>}	122.6130	0.000	1	122.6130	0.000	1	123.2806	0.656	5	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	124.0550	0.000	1	123.4475	0.689	4	123.2806	0.656	5	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	123.6035	0.897	2	123.4475	0.689	4	123.2806	0.656	5	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	122.5280	0.000	1	123.4475	0.689	4	123.2806	0.656	5	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	122.5093	0.845	3	122.5093	0.714	3	122.5093	0.714	3	122.1849	6.500	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,7|C<4>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	123.3585	0.984	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	123.3585	0.984	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:1:	7:4:4:1:	4:4:2:4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|C<7>,3|H<1>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:2:	4:3:3:1:	4:2:2:2:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN){4|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:3:	4:2:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	119.5430	0.093	2	119.5430	0.009	2	119.5430	0.009	2	119.5430	0.009	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:3:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:3:	4:4:4:4:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<3>}	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:3:2:1:	4:2:3:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H){1|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|H<1>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	119.2130	0.000	1	119.2130	0.000	1	120.2280	0.773	4	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	120.7760	0.000	1	120.7760	0.000	1	120.2280	0.773	4	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	121.1250	0.000	1	120.4615	0.880	2	120.2280	0.773	4	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	119.7980	0.000	1	120.4615	0.880	2	120.2280	0.773	4	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	120.9750	0.000	1	120.9750	0.000	1	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	118.7810	0.000	1	118.7810	0.000	1	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	119.6337	0.872	4	119.6337	0.761	4	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,3|H<1>}	119.9310	0.000	1	120.0395	0.024	2	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	120.1480	0.000	1	120.0395	0.024	2	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	120.0317	1.521	3	120.0317	2.313	3	119.8605	0.970	11	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|C<7>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,4|C<4>}	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1	119.9206	0.789	17	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:3:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH){1|C<4>,4|H<1>}	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	121.1753	0.439	4	121.1753	0.193	4	121.1753	0.193	4	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	117.1885	0.047	2	117.1885	0.002	2	117.1885	0.002	2	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	120.5700	0.430	2	120.5700	0.185	2	120.1223	0.357	4	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	119.6745	0.288	2	119.6745	0.083	2	120.1223	0.357	4	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	117.6280	0.000	1	117.6280	0.000	1	119.2170	1.894	3	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	119.9980	0.000	1	119.9980	0.000	1	119.2170	1.894	3	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	120.0250	0.000	1	120.0250	0.000	1	119.2170	1.894	3	119.7860	2.340	13	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.2920	1.247	2	117.2920	1.556	2	117.2920	1.556	2	117.2920	1.556	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H){1|H<1>,2|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	117.3060	0.000	1	117.3060	0.000	1	118.0640	1.149	2	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	118.8220	0.000	1	118.8220	0.000	1	118.0640	1.149	2	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.7000	0.515	2	118.7000	0.265	2	118.6400	0.325	4	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	117.9900	0.000	1	118.5800	0.696	2	118.6400	0.325	4	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	119.1700	0.000	1	118.5800	0.696	2	118.6400	0.325	4	118.8280	0.903	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H){3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	119.8520	0.000	1	119.8520	0.000	1	114.6228	6.779	6	114.6228	6.779	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,1|H<1>,3|C<4>}	113.2220	0.000	1	113.5770	0.271	5	114.6228	6.779	6	114.6228	6.779	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	113.8163	0.572	3	113.5770	0.271	5	114.6228	6.779	6	114.6228	6.779	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	113.2140	0.000	1	113.5770	0.271	5	114.6228	6.779	6	114.6228	6.779	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.0580	0.649	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<4>,3|H<1>}	120.8040	0.000	1	120.8040	0.000	1	120.6070	0.078	2	121.0580	0.649	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	120.4100	0.000	1	120.4100	0.000	1	120.6070	0.078	2	121.0580	0.649	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:4:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	115.7560	0.000	1	115.7560	0.000	1	119.9120	12.983	3	119.9120	12.983	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:4:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	121.8200	0.000	1	121.8200	0.000	1	119.9120	12.983	3	119.9120	12.983	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:4:	4:4:2:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO){2|H<1>,3|C<4>}	122.1600	0.000	1	122.1600	0.000	1	119.9120	12.983	3	119.9120	12.983	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	122.8525	0.180	2	122.8525	0.033	2	122.8525	0.033	2	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	121.4220	0.174	2	121.4220	0.030	2	121.4220	0.030	2	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	121.4980	0.000	1	121.1030	0.273	5	121.3550	0.582	8	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	121.0042	0.546	4	121.1030	0.273	5	121.3550	0.582	8	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	122.0195	1.333	2	121.7750	1.068	3	121.3550	0.582	8	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	121.2860	0.000	1	121.7750	1.068	3	121.3550	0.582	8	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	117.3675	0.773	4	117.3675	0.598	4	117.3675	0.598	4	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	121.4230	0.000	1	121.4230	0.000	1	121.0445	0.287	2	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	120.6660	0.000	1	120.6660	0.000	1	121.0445	0.287	2	120.6082	3.792	18	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	123.7150	0.533	2	123.7150	0.284	2	123.9098	0.197	5	123.9098	0.197	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	123.7895	0.057	2	124.0397	0.189	3	123.9098	0.197	5	123.9098	0.197	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	124.5400	0.000	1	124.0397	0.189	3	123.9098	0.197	5	123.9098	0.197	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:3:1:	3:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:1:	4:4:4:1:	4:3:4:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:2:	3:4:3:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	121.3885	0.333	2	121.3885	0.111	2	121.3885	0.111	2	121.3885	0.111	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:2:	3:4:4:1:	4:3:2:2:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:2:	4:3:3:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:2:	4:4:1:1:	4:3:2:1:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:3:	4:3:3:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:2:1:1:	4:3:4:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2{1|H<1>,6|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>}	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	119.4500	0.000	1	119.4500	0.000	1	118.8554	1.010	5	118.8554	1.010	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	119.0950	1.717	2	118.7067	1.199	4	118.8554	1.010	5	118.8554	1.010	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	118.3185	0.216	2	118.7067	1.199	4	118.8554	1.010	5	118.8554	1.010	5	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>}	120.2995	0.387	2	120.2995	0.150	2	120.2995	0.150	2	120.2995	0.150	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:2:1:1:	3:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H){1|C<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	115.8115	0.477	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:2:1:1:	3:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO){1|O<2>,2|C<3>,3|H<1>}	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	115.8115	0.477	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:2:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:2:4:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O[6]-2:C-4:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|N<3>,3|H<1>}	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	117.9275	0.290	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	117.9275	0.290	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,5]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[3,5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	120.7413	0.225	4	120.7413	0.051	4	120.7413	0.051	4	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	120.9075	0.142	2	120.9075	0.020	2	120.9075	0.020	2	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	119.8865	0.258	2	119.8865	0.067	2	116.1861	8.629	11	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.0887	0.480	7	114.0887	0.231	7	116.1861	8.629	11	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2{1|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	119.8265	0.398	2	119.8265	0.158	2	116.1861	8.629	11	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.2210	0.123	2	119.2210	0.015	2	119.4410	0.153	3	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	119.8810	0.000	1	119.8810	0.000	1	119.4410	0.153	3	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	120.3440	0.120	2	120.3440	0.014	2	120.3440	0.014	2	118.2654	8.839	22	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[3]-4:C-4:	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3)	C[3,6](C[3,6]C[5,6,6]C[3]C)(C[3]C[3,6]ClH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3){2|C<3>,2|C<4>,4|H<1>}	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:4:2:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:3:4:4:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	117.8130	0.623	3	117.8130	0.388	3	118.0370	0.297	5	117.6460	0.665	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	118.2390	0.000	1	118.2390	0.000	1	118.0370	0.297	5	117.6460	0.665	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.5070	0.000	1	118.5070	0.000	1	118.0370	0.297	5	117.6460	0.665	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	116.6685	0.357	2	116.6685	0.128	2	116.6685	0.128	2	117.6460	0.665	7	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	118.1720	0.000	1	118.1720	0.000	1	117.8005	0.276	2	117.8005	0.276	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	117.4290	0.000	1	117.4290	0.000	1	117.8005	0.276	2	117.8005	0.276	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H){2|C<4>,3|H<1>}	118.4250	0.000	1	118.4250	0.000	1	118.4250	0.000	1	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	118.2570	0.000	1	118.2570	0.000	1	118.4533	0.029	3	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.5580	0.000	1	118.5580	0.000	1	118.4533	0.029	3	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.5450	0.000	1	118.5450	0.000	1	118.4533	0.029	3	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:I-1:	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I)	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I){1|C<3>,2|C<4>,2|H<1>}	118.1352	0.647	4	118.1352	0.418	4	118.1352	0.418	4	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	115.6740	0.000	1	115.6740	0.000	1	115.6740	0.000	1	118.0000	0.949	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.8900	0.046	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	120.1880	0.000	1	120.1880	0.000	1	119.9380	0.056	3	119.8900	0.046	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	119.8130	0.134	2	119.8130	0.018	2	119.9380	0.056	3	119.8900	0.046	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO){2|H<1>,3|C<4>}	119.1690	0.000	1	119.1690	0.000	1	117.5260	5.399	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	115.8830	0.000	1	115.8830	0.000	1	117.5260	5.399	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	115.6415	0.175	2	115.6415	0.031	2	115.6415	0.031	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	117.2710	0.000	2	117.2710	0.000	2	117.2710	0.000	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	115.0490	0.000	1	115.0490	0.000	1	114.4325	0.760	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|S<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	113.8160	0.000	1	113.8160	0.000	1	114.4325	0.760	2	116.2177	2.696	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)2(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)2(H)2{2|Br<1>,1|C<4>,2|F<1>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H){2|C<4>,3|H<1>}	121.7465	0.859	2	121.7465	0.738	2	121.7465	0.738	2	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	114.0530	0.595	2	114.0530	0.354	2	114.1737	0.154	4	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	114.2945	0.218	2	114.2945	0.048	2	114.1737	0.154	4	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	114.6631	0.452	7	114.6631	0.204	7	115.6639	4.140	9	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	119.1665	0.589	2	119.1665	0.347	2	115.6639	4.140	9	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	119.5730	0.000	1	119.3730	0.080	2	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.1730	0.000	1	119.3730	0.080	2	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	119.9720	0.000	1	119.0340	0.665	3	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	118.5650	0.105	2	119.0340	0.665	3	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	118.3820	0.000	1	118.3820	0.000	1	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	113.7710	0.000	1	113.7710	0.000	1	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	119.2815	0.179	2	119.2815	0.032	2	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	119.9670	0.615	2	119.9670	0.378	2	118.7725	3.129	11	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<2>,2|H<1>,5|C<4>}	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	118.1330	0.000	1	118.1330	0.000	1	119.5047	1.599	3	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<1>,2|H<1>,4|C<4>}	119.7570	0.000	1	119.7570	0.000	1	119.5047	1.599	3	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.6240	0.000	1	120.6240	0.000	1	119.5047	1.599	3	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:P[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:P[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|W<6>,3|H<1>}	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	119.3005	0.353	2	119.3005	0.125	2	119.3005	0.125	2	117.3999	7.924	32	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	121.6745	0.888	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C[3]-4:H-1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC){2|H<1>,3|C<4>}	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	121.6745	0.888	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	117.6595	0.006	2	118.0827	0.537	3	118.0827	0.537	3	118.0827	0.537	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	118.9290	0.000	1	118.0827	0.537	3	118.0827	0.537	3	118.0827	0.537	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH){2|C<4>,3|H<1>}	124.2040	0.000	1	124.2040	0.000	1	124.0005	0.083	2	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|C<4>,3|H<1>}	123.7970	0.000	1	123.7970	0.000	1	124.0005	0.083	2	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	121.0330	0.000	1	121.0330	0.000	1	121.0850	0.005	2	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO){1|C<4>,4|H<1>}	121.1370	0.000	1	121.1370	0.000	1	121.0850	0.005	2	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	120.5500	0.157	2	120.5500	0.025	2	120.5500	0.025	2	121.0400	4.163	9	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:4:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC){1|C<3>,2|C<4>,2|H<1>}	114.6745	6.369	2	114.6745	40.563	2	117.5358	24.631	4	117.5358	24.631	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:4:2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	120.3970	0.764	2	120.3970	0.583	2	117.5358	24.631	4	117.5358	24.631	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	113.5590	0.000	1	113.5590	0.000	1	116.6807	4.997	4	116.6807	4.997	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	117.3350	0.000	1	117.3350	0.000	1	116.6807	4.997	4	116.6807	4.997	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	118.8560	0.000	1	118.8560	0.000	1	116.6807	4.997	4	116.6807	4.997	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	116.9730	0.000	1	116.9730	0.000	1	116.6807	4.997	4	116.6807	4.997	4	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	123.6200	0.909	2	123.0340	0.738	4	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	122.4480	0.117	2	123.0340	0.738	4	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	119.8445	0.162	2	119.8445	0.026	2	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	122.6990	0.000	1	122.9440	0.030	4	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	123.0090	0.089	2	122.9440	0.030	4	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	123.0590	0.000	1	122.9440	0.030	4	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	122.4460	0.000	1	122.4460	0.000	1	122.3679	1.817	11	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	120.9180	0.000	1	120.9180	0.000	1	121.4177	0.307	3	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	121.3210	0.000	1	121.6675	0.240	2	121.4177	0.307	3	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	122.0140	0.000	1	121.6675	0.240	2	121.4177	0.307	3	122.1643	1.609	14	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	3:4:2:1:	4:3:2:2:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.3607	0.673	8	122.3607	0.453	8	122.3607	0.453	8	122.3607	0.453	8	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2{2|Cl<1>,1|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	119.0310	0.000	1	119.0310	0.000	1	118.5535	0.456	2	118.5535	0.456	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	118.0760	0.000	1	118.0760	0.000	1	118.5535	0.456	2	118.5535	0.456	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	113.8800	8.178	2	113.8800	66.886	2	113.8800	66.886	2	116.8197	59.368	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C[3]-4:O-2:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H){2|H<1>,3|C<4>}	122.6990	0.000	1	122.6990	0.000	1	122.6990	0.000	1	116.8197	59.368	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	119.1967	2.073	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	119.1270	0.000	1	119.1270	0.000	1	119.8985	1.190	2	119.1967	2.073	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	120.6700	0.000	1	120.6700	0.000	1	119.8985	1.190	2	119.1967	2.073	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	3:4:2:1:	4:4:3:3:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:N[6]-3:C-3:	C[3,6](C[3,6]C[3]N[6]C)(C[6]C[6,6a]HO)(C[3]C[3,6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO)	C[3,6](C[3,6]C[3]N[6]C)(C[6]C[6,6a]HO)(C[3]C[3,6]HH)(CC[6a]O){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO){1|H<1>,1|O<2>,2|C<3>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	3:4:3:1:	4:4:2:3:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[3]-4:O[6]-2:C-3:	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO)	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:3:1:1:	4:4:3:2:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:N[6]-3:O-2:	C[3,6](C[3,6]C[3]N[6]O)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi)	C[3,6](C[3,6]C[3]N[6]O)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){1|N<2>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi){1|C<3>,2|H<1>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	115.4275	0.687	2	115.4275	0.471	2	115.4275	0.471	2	115.4275	0.471	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	3:4:3:3:	4:4:4:1:	C[3,6]-4:C[6]-4:C[3]-4:C-4:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<4>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[3]C[3]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	116.2150	0.000	1	116.2150	0.000	1	116.2150	0.000	1	116.4950	0.059	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.6600	0.000	1	116.4950	0.059	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.4950	0.059	3	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	116.5990	0.000	1	116.5990	0.000	1	117.2490	0.845	2	117.2490	0.845	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HW)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2{1|C<4>,1|W<7>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HW)(H){1|C<3>,3|H<1>}	117.8990	0.000	1	117.8990	0.000	1	117.2490	0.845	2	117.2490	0.845	2	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	118.6590	0.000	1	118.6590	0.000	1	118.8355	0.062	2	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	119.0120	0.000	1	119.0120	0.000	1	118.8355	0.062	2	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(CHHO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[5,6]HH)(H){2|C<4>,3|H<1>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	118.0875	1.034	2	116.9198	1.399	6	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	116.3360	0.782	4	116.9198	1.399	6	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	117.7940	0.000	1	117.7940	0.000	1	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	116.3270	0.000	1	116.3270	0.000	1	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	116.4900	0.000	1	116.4806	0.014	5	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	116.4783	0.138	4	116.4806	0.014	5	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	117.3825	1.408	2	117.3825	1.982	2	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO){1|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	118.3290	0.000	1	118.3290	0.000	1	116.9461	0.901	16	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H){1|C<3>,2|H<1>,5|C<4>}	111.4980	0.144	2	111.4980	0.021	2	111.5482	0.061	4	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	111.5985	0.391	2	111.5985	0.153	2	111.5482	0.061	4	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2{2|F<1>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	118.2600	0.000	1	118.2600	0.000	1	118.2600	0.000	1	116.4214	6.427	24	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Br<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	120.6475	0.329	2	120.6475	0.108	2	120.3605	0.173	6	120.3605	0.173	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{2|Br<1>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	119.9880	0.496	2	119.9880	0.246	2	120.3605	0.173	6	120.3605	0.173	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Cl<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	120.4460	0.228	2	120.4460	0.052	2	120.3605	0.173	6	120.3605	0.173	6	119.5129	7.538	514	119.1189	10.111	963
486	466	486	6:SP3_SP3_SP3	C[3,6]	C[6]	C[3,6]	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.4160	1.078	2	118.4160	1.161	2	118.4160	1.161	2	118.4160	1.161	2	119.5129	7.538	514	119.1189	10.111	963