486	490	968	0:SP3_SP-NON_SP3	C[3]	C	H[3]	4:2:4:1:	4:3:1:1:	4:4:	Se[3]-4:H[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	Se[3]-4:C[3]-4:	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H)	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H[3](Se[3]C[6a]C[3]Pd)(C[3]Se[3]CH)	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H){2|C<3>}	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H[3](Se[3]C[6a]C[3]Pd)(C[3]Se[3]CH)	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1
486	490	976	0:SP3_SP3_SP3	C[3,5,5]	C	O[5,5]	4:4:2:4:	4:3:1:1:	4:4:	C[3,5,5,6]-4:C[3,5,5,6]-4:O[5,5]-2:C-4:	C[3,5,5]-4:N-3:H-1:H-1:	C[4x5]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN)	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C)	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN){1|C<4>,1|H<1>,3|C<3>}	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C){2|H<1>,4|C<3>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	113.4012	1.086	6
486	490	976	0:SP3_SP3_SP3	C[3,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	C(C[3,5]C[3,5]C[3]O[5])(H)3	O[5](C[3,5]C[3,5]C[3]C)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[3,5]C[3,5]C[3]O[5])(H)3	O[5](C[3,5]C[3,5]C[3]C)2{2|H<1>,4|C<3>}	112.2000	0.782	2	112.2000	0.612	2	112.2000	0.612	2	112.2000	0.612	2	113.2458	1.177	5	113.4012	1.086	6
486	490	976	0:SP3_SP3_SP3	C[3,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H){2|C<3>,2|F<1>,3|H<1>}	113.9580	0.000	1	113.9580	0.000	1	113.9430	0.224	3	113.9430	0.224	3	113.2458	1.177	5	113.4012	1.086	6
486	490	976	0:SP3_SP3_SP3	C[3,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	114.4090	0.000	1	113.9355	0.448	2	113.9430	0.224	3	113.9430	0.224	3	113.2458	1.177	5	113.4012	1.086	6
486	490	976	0:SP3_SP3_SP3	C[3,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){2|C<3>,2|F<1>,3|H<1>}	113.4620	0.000	1	113.9355	0.448	2	113.9430	0.224	3	113.9430	0.224	3	113.2458	1.177	5	113.4012	1.086	6
486	490	979	0:SP3_SP2_SP3	C[3]	C	Si	3:3:3:4:	4:4:4:4:	4:3:3:	Si[3]-3:P[3]-3:Si-3:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	C(C[3]Si[3]P[3]Si)(CH3)3	Si(C[3]Si[3]P[3]C)(C[6a]C[6a]2)2	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	C(C[3]Si[3]P[3]Si)(CH3)3	Si(C[3]Si[3]P[3]C)(C[6a]C[6a]2)2	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:2:4:2:	4:1:1:1:	4:2:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C-2:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C(C[3]C[3]O[3]C)(F)3	C(C[3]C[3]O[3]C)(CC[6a])	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C(C[3]C[3]O[3]C)(F)3	C(C[3]C[3]O[3]C)(CC[6a])	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:2:4:2:	4:3:1:1:	4:1:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:N-3:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C(C[3]C[3]O[3]C)(N)	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:3:4:2:	4:1:1:1:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(CC)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(CC)	114.4360	0.000	1	114.4360	0.000	1	114.4144	0.160	5	114.4144	0.160	5	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:3:4:2:	4:1:1:1:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(CH)	114.4090	0.462	4	114.4090	0.213	4	114.4144	0.160	5	114.4144	0.160	5	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:4:4:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[6a]-3:C[3]-4:C-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(C[3]C[3]2C)(N)	114.6350	0.000	1	114.6350	0.000	1	114.7425	0.023	2	114.7425	0.023	2	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:4:4:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[6a]-3:C[3]-4:C-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(C[3]C[3]2C)(N)	114.8500	0.000	1	114.8500	0.000	1	114.7425	0.023	2	114.7425	0.023	2	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(N)	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:4:4:2:	4:1:1:1:	4:2:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C(C[3]C[3]2C)(F)3	C(C[3]C[3]2C)(CC)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C(C[3]C[3]2C)(F)3	C(C[3]C[3]2C)(CC)	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	114.1109	0.623	12	114.1109	0.623	12
486	490	983	0:SP3_SP1_SP3	C[3]	C	C	4:4:4:2:	4:3:4:1:	4:1:	C[3,6]-4:C[3,6]-4:C-4:C-2:	C[3]-4:C[6a]-3:C-4:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(C[3]C[3,6]2C)(N)	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>}	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(C[3]C[3,6]2C)(N)	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	114.1109	0.623	12	114.1109	0.623	12
486	490	999	0:SP3_SP3_SP3	C[3,5]	C	N[5]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	C(C[3,5]C[3,5]C[3]N[5])(H)3	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	C(C[3,5]C[3,5]C[3]N[5])(H)3	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1
486	494	494	3:SP3_SP2_SP2	C[3]	N[3]	N[3]	2:2:4:1:	4:2:	4:2:	N[3]-2:N[3]-2:C-4:H-1:	C[3]-4:N[3]-2:	C[3]-4:N[3]-2:	C[3](N[3]N[3])2(CCHH)(H)	N[3](C[3]N[3]CH)(N[3]C[3])	N[3](C[3]N[3]CH)(N[3]C[3])	C[3](N[3]N[3])2(CCHH)(H)	N[3](C[3]N[3]CH)(N[3]C[3])	N[3](C[3]N[3]CH)(N[3]C[3])	48.8144	0.502	2	48.8144	0.252	2	48.8144	0.252	2	48.8144	0.252	2	48.6067	0.148	4	48.6067	0.148	4
486	494	494	3:SP3_SP2_SP2	C[3]	N[3]	N[3]	3:2:2:4:	4:2:	4:2:	C[6a]-3:N[3]-2:N[3]-2:C-4:	C[3]-4:N[3]-2:	C[3]-4:N[3]-2:	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3])	N[3](C[3]C[6a]N[3]C)(N[3]C[3])	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]){2|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]){2|C<3>}	48.3991	0.138	2	48.3991	0.019	2	48.3991	0.019	2	48.3991	0.019	2	48.6067	0.148	4	48.6067	0.148	4
486	494	622	0:SP3_SP2_SP2	C[3,6]	N[3]	O[6]	4:2:2:2:	4:4:	4:3:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(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)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	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>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O){1|H<1>,3|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	117.3900	0.000	1	117.3900	0.000	1	117.3900	0.000	1	117.3900	0.000	1	117.3900	0.000	1	117.3900	0.000	1
486	494	643	0:SP3_SP2_SP2	C[3,6]	N[3]	C[6,6a]	3:3:4:2:	4:3:	4:3:3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){2|C<4>,5|C<3>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	117.1697	1.426	3	116.6448	2.457	4	116.6448	2.457	4	116.6448	2.457	4	116.6448	2.457	4	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3,6]	N[3]	C[6,6a]	3:3:4:2:	4:3:	4:3:3:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){3|C<4>,4|C<3>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	115.0700	0.000	1	116.6448	2.457	4	116.6448	2.457	4	116.6448	2.457	4	116.6448	2.457	4	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:2:2:4:	4:2:	3:3:4:	C[6a]-3:N[3]-2:N[3]-2:C-4:	C[3]-4:N[3]-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3])	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,2|H<1>}	118.3865	0.936	4	118.3865	0.876	4	118.3865	0.876	4	118.3865	0.876	4	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3])	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	117.9810	0.115	2	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	117.9810	0.115	2	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:2:3:	4:3:	4:3:3:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3])	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]){4|C<3>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	116.8572	3.184	13	116.8072	2.857	17
486	494	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:N[3]-2:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3])	N[3](C[3]C[6a]2C[3])(C[3]C[3]C)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3]){4|C<3>,4|H<1>}	N[3](C[3]C[6a]2C[3])(C[3]C[3]C){4|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.6855	0.593	4	115.6855	0.351	4	115.6855	0.351	4	115.6855	0.351	4	116.8572	3.184	13	116.8072	2.857	17
486	494	778	0:SP3_SP2_SPD5	C[3,5]	N[3]	C[3,5]	5:3:2:1:	4:3:	7:4:2:1:1:	C[3,5]-5:C[3,5]-3:N[3]-2:N-1:	C[3,5]-4:C[3,5]-3:	C[3,3,5]-7:C[3,5]-4:H[3]-2:H-1:H-1:	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N)	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2)	C[3,5](C[3,3,5]C[3,5]H[3]2CoHH)(C[3,5]C[3,5]N[3]N)(H[3]C[3,3,5])(H)2	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N){1|Co<6>,1|H<2>,4|H<1>}	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2){1|C<7>,2|H<2>,4|H<1>}	C[3,5](C[3,3,5]C[3,5]H[3]2CoHH)(C[3,5]C[3,5]N[3]N)(H[3]C[3,3,5])(H)2{2|H<1>}	146.4700	0.000	1	146.4700	0.000	1	146.4700	0.000	1	146.4700	0.000	1	146.4700	0.000	1	146.4700	0.000	1
486	494	813	0:SP3_SP2_SP2	C[3]	N[3]	N[5a]	3:3:2:3:	4:3:	4:3:3:	C[3]-3:N[5a]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:C[5a]-3:C[5a]-3:	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO)	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3])	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO){1|N<2>,2|H<1>,3|C<3>}	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1
486	494	818	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5]	3:3:3:2:	4:3:	4:2:4:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:N[5]-2:C-4:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){1|C<4>,2|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>}	121.9520	0.000	1	122.7050	1.134	2	122.7050	1.134	2	122.7050	1.134	2	121.0190	4.170	4	121.0190	4.170	4
486	494	818	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5]	3:3:3:2:	4:3:	4:2:4:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:N[5]-2:C-4:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){3|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|O<1>,2|C<3>}	123.4580	0.000	1	122.7050	1.134	2	122.7050	1.134	2	122.7050	1.134	2	121.0190	4.170	4	121.0190	4.170	4
486	494	818	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5]	3:3:3:2:	4:3:	4:3:1:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[6a]N[5])(O)	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){3|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[6a]N[5])(O){1|C<4>,3|C<3>}	119.3900	0.000	1	119.3900	0.000	1	119.3330	0.006	2	119.3330	0.006	2	121.0190	4.170	4	121.0190	4.170	4
486	494	818	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5]	3:3:3:2:	4:3:	4:3:1:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5]C)(O)	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){1|C<4>,2|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5]C)(O){1|C<3>,1|C<4>}	119.2760	0.000	1	119.2760	0.000	1	119.3330	0.006	2	119.3330	0.006	2	121.0190	4.170	4	121.0190	4.170	4
486	494	856	0:SP3_SP2_SP2	C[3,6]	N[3]	N[6]	3:3:3:2:	4:3:	4:3:3:	C[3]-3:N[6]-3:N[6]-3:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3])	N[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]C[6a])	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	N[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]C[6a]){6|C<3>}	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	117.2930	1.640	2	117.2930	2.691	2	117.2930	2.691	2	117.2930	2.691	2	117.2930	2.691	2	117.2930	2.691	2
486	494	880	0:SP3_SP2_SP3	C[3]	N[3]	Si	3:3:2:4:	4:3:	4:4:4:4:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[3]-4:C[3]-3:	C[3]-4:C-4:C-4:C-4:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3])	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]){4|C<3>}	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1
486	494	893	0:SP3_SP2_SP2	C[3,6]	N[3]	O	4:2:2:2:	4:4:	4:3:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(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)	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])(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){1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1
486	494	901	0:SP3_SP1_SP2	C[3,5]	N[3]	N	5:3:2:1:	4:3:	4:	C[3,5]-5:C[3,5]-3:N[3]-2:N-1:	C[3,5]-4:C[3,5]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N)	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2)	N(C[3,5]C[3,5]2N[3])	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N){1|Co<6>,1|H<2>,4|H<1>}	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2){1|C<7>,2|H<2>,4|H<1>}	N(C[3,5]C[3,5]2N[3])	37.1460	0.000	1	37.1460	0.000	1	37.1460	0.000	1	37.1460	0.000	1	37.1460	0.000	1	37.1460	0.000	1
486	494	902	3:SP3_SP2_SP2	C[3,5]	N[3]	C[3,5]	5:3:2:1:	4:3:	5:4:2:	C[3,5]-5:C[3,5]-3:N[3]-2:N-1:	C[3,5]-4:C[3,5]-3:	C[3,5]-5:C[3,5]-4:N[3]-2:	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N)	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2)	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3]N)(N[3]C[3,5])	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3])(N[3]C[3,5])(N){1|Co<6>,1|H<2>,4|H<1>}	N[3](C[3,5]C[3,5]2N)(C[3,5]C[3,5]2){1|C<7>,2|H<2>,4|H<1>}	C[3,5](C[3,5]C[3,3,5]H[3]HH)(C[3,5]C[3,5]N[3]N)(N[3]C[3,5]){1|Co<6>,1|H<2>,4|H<1>}	62.3925	0.000	1	62.3925	0.000	1	62.3925	0.000	1	62.3925	0.000	1	62.3925	0.000	1	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,5]	N[3]	C[3]	3:3:3:2:	4:3:	4:3:2:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:C[6a]-3:N[3]-2:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5])	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){1|C<4>,2|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	48.4251	0.000	1	48.6659	0.116	2	48.6659	0.116	2	48.6659	0.116	2	48.6659	0.116	2	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,5]	N[3]	C[3]	3:3:3:2:	4:3:	4:3:2:	C[3]-3:C[5]-3:C[5]-3:N[3]-2:	C[3,5]-4:C[3]-3:	C[3,5]-4:C[6a]-3:N[3]-2:	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3])	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a])	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5])	C[3,5](C[3]C[6a]N[3])(C[5]N[5]C)(C[5]N[5]O)(N[3]C[3]){3|C<3>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	48.9068	0.000	1	48.6659	0.116	2	48.6659	0.116	2	48.6659	0.116	2	48.6659	0.116	2	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,6,6]	N[3]	C[3]	4:4:3:2:	4:3:	4:2:3:	C[3x6]-4:C[3x6]-4:C[3]-3:N[3]-2:	C[3,6,6]-4:C[3]-3:	C[3,6,6]-4:N[3]-2:C-3:	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3])	N[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]C)	C[3](C[3,6,6]C[3x6]2N[3])(N[3]C[3,6,6])(CCH)	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>}	N[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]C){2|H<1>,4|C<4>}	C[3](C[3,6,6]C[3x6]2N[3])(N[3]C[3,6,6])(CCH){2|H<1>,4|C<4>}	49.7347	0.000	1	49.7347	0.000	1	49.7347	0.000	1	49.7347	0.000	1	49.7347	0.000	1	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,6]	N[3]	C[3]	3:3:3:2:	4:3:	4:3:2:	C[3]-3:N[6]-3:N[6]-3:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6a]-3:N[3]-2:	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3])	N[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]C[6a])	C[3](C[3,6]N[3]N[6]2)(C[6a]C[6a]2)(N[3]C[3,6])	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	N[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]C[6a]){6|C<3>}	C[3](C[3,6]N[3]N[6]2)(C[6a]C[6a]2)(N[3]C[3,6]){2|H<1>,6|C<3>}	51.0473	0.000	1	51.0473	0.000	1	51.0473	0.000	1	51.0473	0.000	1	49.8736	0.489	5	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,6]	N[3]	C[3]	3:3:4:2:	4:3:	4:3:2:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6a]-3:N[3]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){2|C<4>,5|C<3>}	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6]){2|C<4>,2|H<1>,5|C<3>}	49.5235	0.313	3	49.5802	0.078	4	49.5802	0.078	4	49.5802	0.078	4	49.8736	0.489	5	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3,6]	N[3]	C[3]	3:3:4:2:	4:3:	4:3:2:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[3]-3:	C[3,6]-4:C[6a]-3:N[3]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	N[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){3|C<4>,4|C<3>}	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6]){2|H<1>,3|C<4>,4|C<3>}	49.7501	0.000	1	49.5802	0.078	4	49.5802	0.078	4	49.5802	0.078	4	49.8736	0.489	5	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:1:1:	3:4:	4:4:2:	C[3]-3:N[3]-2:H-1:H-1:	C[3]-3:C[3]-4:	C[6]-4:C[3]-4:N[3]-2:	C[3](C[3]C[6]N[3])(N[3]C[3])(H)2	N[3](C[3]C[3]C[6])(C[3]C[3]HH)	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3])	C[3](C[3]C[6]N[3])(N[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	N[3](C[3]C[3]C[6])(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	49.1888	0.000	2	49.1888	0.000	2	49.1888	0.000	2	49.1888	0.000	2	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:3:1:	3:4:	3:4:2:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	48.6504	0.000	1	48.6504	0.000	1	49.0016	0.161	5	49.0016	0.161	5	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:3:1:	3:4:	3:4:2:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	49.4782	0.000	1	49.4782	0.000	1	49.0016	0.161	5	49.0016	0.161	5	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:3:1:	3:4:	3:4:2:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	48.5577	0.000	1	48.5577	0.000	1	49.0016	0.161	5	49.0016	0.161	5	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:3:1:	3:4:	3:4:2:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	49.1608	0.211	2	49.1608	0.045	2	49.0016	0.161	5	49.0016	0.161	5	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:2:4:1:	3:4:	3:4:2:	C[3]-3:N[3]-2:C-4:H-1:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	49.6138	0.000	1	49.6138	0.000	1	49.6138	0.000	1	49.6138	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:1:	4:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3])	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	47.9730	0.000	1	47.9730	0.000	1	47.9730	0.000	1	47.9730	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:2:	4:3:	4:2:4:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:N[3]-2:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3){2|C<3>}	48.3968	0.000	1	48.3968	0.000	1	48.3968	0.000	1	48.3968	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:2:	4:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	48.6331	0.000	1	48.6331	0.000	1	48.6331	0.000	1	48.6331	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:3:	4:3:	4:2:4:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:N[3]-2:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3){2|C<3>}	48.0252	0.000	1	48.0252	0.000	1	48.0252	0.000	1	48.0252	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:3:	4:3:	4:3:2:	C[3]-3:N[5a]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO)	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3])	C[3](C[3]N[5a]N[3]C)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO){1|N<2>,2|H<1>,3|C<3>}	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	C[3](C[3]N[5a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	49.9473	0.000	1	49.9473	0.000	1	49.9473	0.000	1	49.9473	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:2:4:	4:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[3]-4:C[3]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3])	C[3](C[3]C[6a]N[3]Si)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]){4|C<3>}	C[3](C[3]C[6a]N[3]Si)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	47.5961	0.000	1	47.5961	0.000	1	47.5961	0.000	1	47.5961	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:3:3:2:	4:3:	4:2:3:	C[6a]-3:C[6a]-3:C[3]-3:N[3]-2:	C[3]-4:C[3]-3:	C[3]-4:N[3]-2:C-3:	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3])	N[3](C[3]C[6a]2C[3])(C[3]C[3]C)	C[3](C[3]C[6a]2N[3])(N[3]C[3])(CCN)	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3]){4|C<3>,4|H<1>}	N[3](C[3]C[6a]2C[3])(C[3]C[3]C){4|C<3>}	C[3](C[3]C[6a]2N[3])(N[3]C[3])(CCN){4|C<3>}	49.2235	0.074	2	49.2235	0.006	2	49.2235	0.006	2	49.2235	0.006	2	48.9234	0.433	17	49.6356	7.302	26
486	494	902	3:SP3_SP2_SP2	C[3]	N[3]	C[3]	3:4:4:2:	3:4:	3:4:2:	C[3]-3:S-4:S-4:N[3]-2:	C[3]-3:C[3]-4:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3])	N[3](C[3]C[6a]C[3])(C[3]C[3]SS)	C[3](C[6a]C[6a]2)(C[3]N[3]SS)(N[3]C[3])	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3]){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]SS){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]SS)(N[3]C[3]){2|C<3>,2|H<1>}	49.6808	0.000	1	49.6808	0.000	1	49.6808	0.000	1	49.6808	0.000	1	48.9234	0.433	17	49.6356	7.302	26
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:2:3:1:	3:4:	3:4:1:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	N[5a]-3:C[3]-4:O-1:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C(N[5a]C[5a]N[5a])(C[3]C[3]N[3]H)(O)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[3]C[3]N[3]H)(O)	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:2:3:1:	3:4:	4:2:1:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:N-2:O-1:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(NN)(O)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C(C[3]C[3]N[3]H)(NN)(O)	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	115.6167	6.317	3	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:2:3:1:	3:4:	4:2:1:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(OC[6a])(O)	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C(C[3]C[3]N[3]H)(OC[6a])(O)	113.9550	0.000	1	113.9550	0.000	1	114.1710	0.093	2	115.6167	6.317	3	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:2:3:1:	3:4:	4:2:1:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(OH)(O)	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C(C[3]C[3]N[3]H)(OH)(O)	114.3870	0.000	1	114.3870	0.000	1	114.1710	0.093	2	115.6167	6.317	3	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:2:3:1:	3:4:	4:3:1:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:C-3:O-1:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(CHN)(O)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	C(C[3]C[3]N[3]H)(CHN)(O)	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:3:2:3:	4:3:	4:2:1:	C[3]-3:N[5a]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO)	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3])	C(C[3]N[5a]C[3]N[3])(OC)(O)	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO){1|N<2>,2|H<1>,3|C<3>}	N[3](C[3]N[5a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	C(C[3]N[5a]C[3]N[3])(OC)(O)	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.5609	3.224	7	114.5609	3.224	7
486	494	930	0:SP3_SP2_SP2	C[3]	N[3]	C	3:3:2:3:	4:3:	4:4:1:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[3]-4:C[3]-3:	C[3]-4:C-4:O-1:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C(C[3]C[6a]C[3]N[3])(CH3)(O)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C(C[3]C[6a]C[3]N[3])(CH3)(O)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	114.5609	3.224	7	114.5609	3.224	7
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	2:2:4:1:	4:2:	4:	N[3]-2:N[3]-2:C-4:H-1:	C[3]-4:N[3]-2:	C[3]-4:	C[3](N[3]N[3])2(CCHH)(H)	N[3](C[3]N[3]CH)(N[3]C[3])	H(C[3]N[3]2C)	C[3](N[3]N[3])2(CCHH)(H)	N[3](C[3]N[3]CH)(N[3]C[3])	H(C[3]N[3]2C)	116.8853	0.035	3	116.8853	0.001	3	116.8853	0.001	3	116.8853	0.001	3	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:1:1:	3:4:	4:	C[3]-3:N[3]-2:H-1:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6]N[3])(N[3]C[3])(H)2	N[3](C[3]C[3]C[6])(C[3]C[3]HH)	H(C[3]C[3]N[3]H)	C[3](C[3]C[6]N[3])(N[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	N[3](C[3]C[3]C[6])(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[3]C[3]N[3]H)	115.6050	3.435	4	115.6050	11.801	4	115.6050	11.801	4	115.6050	11.801	4	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:3:1:	3:4:	4:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]N[3]C)	118.7360	0.000	1	118.7360	0.000	1	118.3482	0.697	5	118.3482	0.697	5	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:3:1:	3:4:	4:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]N[3]C)	116.9880	0.000	1	116.9880	0.000	1	118.3482	0.697	5	118.3482	0.697	5	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:3:1:	3:4:	4:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CN[5a]O)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]N[3]C)	119.1690	0.000	1	119.1690	0.000	1	118.3482	0.697	5	118.3482	0.697	5	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:3:1:	3:4:	4:	C[3]-3:N[3]-2:C-3:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]N[3]C)	118.4240	0.320	2	118.4240	0.102	2	118.3482	0.697	5	118.3482	0.697	5	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:2:4:1:	3:4:	4:	C[3]-3:N[3]-2:C-4:H-1:	C[3]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H)	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]N[3]C)	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	117.0634	4.235	14	117.0634	4.235	14
486	494	951	0:SP3_SP-NON_SP2	C[3]	N[3]	H	3:3:2:1:	4:3:	4:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[3]-4:C[3]-3:	C[3]-4:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3])	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]){4|C<3>}	H(C[3]C[6a]C[3]N[3])	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	117.0634	4.235	14	117.0634	4.235	14
486	494	952	0:SP3_SP2_SP3	C[3]	N[3]	S	3:4:4:2:	3:4:	4:3:1:1:	C[3]-3:S-4:S-4:N[3]-2:	C[3]-3:C[3]-4:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3])	N[3](C[3]C[6a]C[3])(C[3]C[3]SS)	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3]){2|C<3>}	N[3](C[3]C[6a]C[3])(C[3]C[3]SS){2|C<3>}	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	115.4900	0.269	2	115.4900	0.072	2	115.4900	0.072	2	115.4900	0.072	2	115.4900	0.072	2	115.4900	0.072	2
486	494	983	0:SP3_SP1_SP2	C[3,6]	N[3]	C	4:4:2:2:	4:4:	4:1:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:C[3,6]-4:	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])(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)	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])(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O){1|H<1>,3|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	115.2770	13.387	3
486	494	983	0:SP3_SP1_SP2	C[3]	N[3]	C	3:3:2:2:	4:3:	4:1:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:N-1:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])	C(C[3]C[6a]C[3]N[3])(N)	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]){4|C<3>}	C(C[3]C[6a]C[3]N[3])(N)	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	113.1705	0.150	2	113.1705	0.150	2	115.2770	13.387	3
486	494	983	0:SP3_SP1_SP2	C[3]	N[3]	C	3:3:2:2:	4:3:	4:1:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[3]-4:C[3]-3:	C[3]-4:N-1:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C)	C(C[3]C[6a]C[3]N[3])(N)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]C){2|C<3>}	C(C[3]C[6a]C[3]N[3])(N)	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.1705	0.150	2	113.1705	0.150	2	115.2770	13.387	3
486	542	542	5:SP3_SP2_SP2	C[3,5]	N[5]	N[5]	3:3:3:3:	4:3:4:	4:3:4:	C[3]-3:C[3]-3:N[5]-3:N[5]-3:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2{2|C<3>,2|O<1>}	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1
486	542	643	0:SP3_SP2_SP2	C[3,5]	N[5]	C[6a]	4:3:3:3:	4:3:4:	4:3:3:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	116.4570	0.000	1	116.4570	0.000	1	116.4570	0.000	1	116.4570	0.000	1	116.4570	0.000	1	116.4570	0.000	1
486	542	762	0:SP3_SP2_SP3	C[3,5,6]	N[5,6]	C[6]	4:3:3:3:	4:3:3:	4:3:4:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	115.4817	0.842	3
486	542	762	0:SP3_SP2_SP3	C[3,6]	N[5]	C[6]	4:4:3:3:	4:4:3:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6]-4:C[5]-4:C[5]-3:	C[3,6]-4:C[6]-4:O-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)	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O)	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>}	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	114.9520	0.000	2	114.9520	0.000	2	114.9520	0.000	2	114.9520	0.000	2	114.9520	0.000	2	115.4817	0.842	3
486	542	818	0:SP3_SP2_SP2	C[3,5]	N[5]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	118.2920	0.000	2	118.2920	0.000	2	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6
486	542	818	0:SP3_SP2_SP2	C[3,5]	N[5]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	119.7885	1.416	2	119.7885	2.006	2	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6
486	542	818	0:SP3_SP2_SP2	C[3,5]	N[5]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	120.0250	0.000	1	120.2445	0.096	2	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6
486	542	818	0:SP3_SP2_SP2	C[3,5]	N[5]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	120.4640	0.000	1	120.2445	0.096	2	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6	119.4417	1.255	6
486	542	818	0:SP3_SP2_SP3	C[3,5]	N[5]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1
486	542	818	5:SP3_SP2_SP2	C[3,5]	N[5]	C[5]	4:3:3:4:	3:4:4:	3:4:1:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[5,6a]-3:C[3,5]-4:S-4:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O){1|S<4>,3|H<1>,4|C<3>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1
486	542	852	5:SP3_SP3_SP3	C[3,5,6]	N[5,6]	P[3,5]	4:3:3:3:	4:3:3:	4:4:3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1
486	542	902	0:SP3_SP2_SP2	C[3,5]	N[5]	C[3]	3:3:3:3:	4:3:4:	4:3:3:	C[3]-3:C[3]-3:N[5]-3:N[5]-3:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[3]-3:C[6a]-3:	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[3](C[3,5]C[3]N[5]2)(C[3]C[3,5]C)(C[6a]C[6a]2)	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2{2|C<3>,2|O<1>}	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	C[3](C[3,5]C[3]N[5]2)(C[3]C[3,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	123.5512	0.397	4	123.5512	0.157	4	123.5512	0.157	4	123.5512	0.157	4	123.7754	0.232	8	121.8443	8.406	12
486	542	902	0:SP3_SP2_SP2	C[3,5]	N[5]	C[3]	3:3:3:3:	4:3:4:	4:3:4:	C[3]-3:C[3]-3:N[5]-3:N[5]-3:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[3]-3:C-4:	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[3](C[3,5]C[3]N[5]2)(C[3]C[3,5]C[6a])(CCHH)	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2{2|C<3>,2|O<1>}	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	C[3](C[3,5]C[3]N[5]2)(C[3]C[3,5]C[6a])(CCHH){2|C<4>,4|C<3>}	123.9995	0.500	4	123.9995	0.250	4	123.9995	0.250	4	123.9995	0.250	4	123.7754	0.232	8	121.8443	8.406	12
486	542	902	0:SP3_SP2_SP2	C[3]	N[5]	C[3]	3:4:3:1:	4:2:2:	4:4:1:	N[5]-3:C[3]-4:C[3]-3:H-1:	C[3]-4:C[5]-2:N[5]-2:	C[3]-4:C[3]-4:H-1:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H)	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H){1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H){1|C<2>,1|N<2>}	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	117.9820	0.447	4	121.8443	8.406	12
486	542	902	0:SP3_SP2_SP2	C[3]	N[5]	C[3]	4:3:3:3:	3:3:4:	4:4:3:	C[3]-4:C[3]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C)	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO){2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH){2|C<3>}	117.9670	0.197	2	117.9670	0.039	2	117.9670	0.039	2	117.9670	0.039	2	117.9820	0.447	4	121.8443	8.406	12
486	542	902	0:SP3_SP2_SP2	C[3]	N[5]	C[3]	4:3:3:4:	4:4:3:	4:4:3:	C[3]-4:C[3]-3:N[5]-3:C-4:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH){1|C<3>,1|C<4>}	117.1900	0.000	1	117.1900	0.000	1	117.1900	0.000	1	117.1900	0.000	1	117.9820	0.447	4	121.8443	8.406	12
486	542	930	0:SP3_SP2_SP2	C[3]	N[5]	C	4:3:3:3:	3:3:4:	4:2:1:	C[3]-4:C[3]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C)	C(C[3]C[3]2N[5])(OC)(O)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO){2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C(C[3]C[3]2N[5])(OC)(O)	113.3040	0.754	2	113.3040	0.568	2	113.3040	0.568	2	113.3040	0.568	2	113.3040	0.568	2	113.3040	0.568	2
486	542	930	0:SP3_SP2_SP3	C[3,5]	N[5]	C	4:4:3:3:	4:4:3:	4:3:1:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	C[3,5]-4:C[5]-4:C-3:	C[3,5]-4:N-3:O-1:	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	C(C[3,5]C[3,5,6]C[3]N[5])(NCO)(O)	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	C(C[3,5]C[3,5,6]C[3]N[5])(NCO)(O)	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1
486	542	951	0:SP3_SP-NON_SP2	C[3,5]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	H(C[3,5]C[3,5]C[3]N[5])	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[3,5]C[3,5]C[3]N[5])	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7915	2.370	8	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	H(C[3,5]C[3,5,5]C[3,5]N[5])	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	H(C[3,5]C[3,5,5]C[3,5]N[5])	120.2075	0.640	2	120.2075	0.410	2	120.2075	0.410	2	119.1870	3.491	5	118.7915	2.370	8	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:	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)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	H(C[3,5]C[3,5,6]C[3,6]N[5])	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>}	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	H(C[3,5]C[3,5,6]C[3,6]N[5])	119.7910	0.430	2	119.7910	0.185	2	119.7910	0.185	2	119.1870	3.491	5	118.7915	2.370	8	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3,5]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	H(C[3,5]C[3,5]C[3]N[5])	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	H(C[3,5]C[3,5]C[3]N[5])	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	119.1870	3.491	5	118.7915	2.370	8	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3,5]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	N[5](C[3,5]C[3,5]C[3]H)2(COO)	H(C[3,5]C[3,5]C[3]N[5])	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	H(C[3,5]C[3,5]C[3]N[5])	117.8340	0.093	2	117.8340	0.009	2	117.8340	0.009	2	117.8340	0.009	2	118.7915	2.370	8	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:3:1:	4:2:2:	4:	N[5]-3:C[3]-4:C[3]-3:H-1:	C[3]-4:C[5]-2:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H)	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H){1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	H(C[3]C[3]2N[5])	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Cu<6>,4|H<1>}	H(C[3]C[3]2N[5])	113.1450	1.822	5	112.7211	2.652	9	112.7211	2.652	9	112.7211	2.652	9	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Fe<6>,4|H<1>}	H(C[3]C[3]2N[5])	112.2280	0.000	1	112.7211	2.652	9	112.7211	2.652	9	112.7211	2.652	9	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Mn<6>,4|H<1>}	H(C[3]C[3]2N[5])	112.5420	0.000	1	112.7211	2.652	9	112.7211	2.652	9	112.7211	2.652	9	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Zn<6>,4|H<1>}	H(C[3]C[3]2N[5])	110.3070	0.000	1	112.7211	2.652	9	112.7211	2.652	9	112.7211	2.652	9	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3]-4:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	H(C[3]C[3]2N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,2|N<3>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){2|Cu<6>,4|H<1>}	H(C[3]C[3]2N[5])	113.6880	0.000	1	112.7211	2.652	9	112.7211	2.652	9	112.7211	2.652	9	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H)	H(C[3]C[3]2N[5])	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H){3|C<3>,3|H<1>}	H(C[3]C[3]2N[5])	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[5]-3:C[3]-4:C[5]-3:	C[3]-4:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	H(C[3]C[3]2N[5])	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	H(C[3]C[3]2N[5])	115.7370	0.000	1	115.7370	0.000	1	115.7370	0.000	1	115.7370	0.000	1	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[3]-4:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	H(C[3]C[3]2N[5])	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	H(C[3]C[3]2N[5])	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3]-4:C[3,3]-4:N[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H)	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[3]C[3,3]C[3]N[5])	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[3,3]C[3]N[5])	116.1055	0.305	4	116.1055	0.093	4	116.1055	0.093	4	116.0466	0.207	8	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[3]C[3]2N[5])	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	H(C[3]C[3]2N[5])	116.6580	0.000	1	116.6580	0.000	1	116.2547	0.145	3	116.0466	0.207	8	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	H(C[3]C[3]2N[5])	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	H(C[3]C[3]2N[5])	116.0530	0.216	2	116.0530	0.047	2	116.2547	0.145	3	116.0466	0.207	8	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP2	C[3]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[5]-4:C[3]-4:C[5]-3:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	H(C[3]C[3]2N[5])	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	H(C[3]C[3]2N[5])	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	116.0466	0.207	8	114.1178	5.439	21	115.4071	8.997	29
486	542	951	0:SP3_SP-NON_SP3	C[3,5]	N[5,5]	H	3:4:4:1:	4:4:3:	4:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,5]-4:C[5]-3:	C[3,5]-4:	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	H(C[3,5]C[3,5]N[5,5]C[3])	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	H(C[3,5]C[3,5]N[5,5]C[3])	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	118.8985	0.322	2
486	542	951	0:SP3_SP-NON_SP3	C[3,5]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[5]-4:S-4:	C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	H(C[3,5]C[3,5]C[3]N[5])	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	H(C[3,5]C[3,5]C[3]N[5])	118.4970	0.000	1	118.4970	0.000	1	118.4970	0.000	1	118.4970	0.000	1	118.4970	0.000	1	118.8985	0.322	2
486	622	622	6:SP3_SP3_SP3	C[3,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[3,5,6]-4:C[3,6]-4:O[6]-2:O[6]-2:	C[3,6]-4:C[6]-4:	C[3,6]-4:C[6]-4:	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	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH)	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH)	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>}	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH){1|H<1>,6|C<4>}	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH){1|H<1>,6|C<4>}	114.2415	0.025	2	114.2415	0.001	2	114.2415	0.001	2	114.2415	0.001	2	114.2415	0.001	2	114.2415	0.001	2
486	622	643	0:SP3_SP2_SP2	C[3,6]	O[6]	C[6a]	3:4:3:2:	4:3:	4:3:3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6])	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1
486	622	762	6:SP3_SP2_SP2	C[3,6]	O[6]	C[6]	2:4:4:3:	3:4:	4:3:4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:C[6]-3:C-4:	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<4>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	113.7295	2.400	2	113.7295	2.400	2
486	622	762	6:SP3_SP2_SP2	C[3,6]	O[6]	C[6]	4:4:2:3:	3:4:	4:3:1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[3,6]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	113.7295	2.400	2	113.7295	2.400	2
486	622	762	6:SP3_SP2_SP3	C[3,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:C[6]-4:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H)	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1
486	622	893	0:SP3_SP2_SP2	C[3,6]	O[6]	O	4:2:2:2:	4:3:	4:3:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6]-4:C[6,6]-3:	C[3,6]-4:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	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])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.6895	0.923	6	108.6895	0.923	6
486	622	893	0:SP3_SP2_SP2	C[3,6]	O[6]	O	4:3:2:2:	3:4:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6,6a]-3:C[3,6]-4:	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)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	109.0180	0.000	1	109.0910	0.228	3	109.0910	0.228	3	109.0910	0.228	3	108.6895	0.923	6	108.6895	0.923	6
486	622	893	0:SP3_SP2_SP2	C[3,6]	O[6]	O	4:3:2:2:	3:4:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6,6a]-3:C[3,6]-4:	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)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	109.1275	0.670	2	109.0910	0.228	3	109.0910	0.228	3	109.0910	0.228	3	108.6895	0.923	6	108.6895	0.923	6
486	622	893	0:SP3_SP2_SP2	C[3,6]	O[6]	O	4:3:2:2:	4:3:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[6,6]-3:	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)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O(C[3,6]C[3,6]N[3]O[6])(CCO)	109.4030	0.000	1	109.4030	0.000	1	108.1595	3.093	2	108.1595	3.093	2	108.6895	0.923	6	108.6895	0.923	6
486	622	893	0:SP3_SP2_SP2	C[3,6]	O[6]	O	4:3:2:2:	4:3:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[6,6]-3:	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)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[3,6]C[3,6]N[3]O[6])(CC[6]O)	106.9160	0.000	1	106.9160	0.000	1	108.1595	3.093	2	108.1595	3.093	2	108.6895	0.923	6	108.6895	0.923	6
486	622	930	0:SP3_SP2_SP2	C[3,6]	O[6]	C	4:4:2:3:	3:4:	4:2:1:	C[3,6]-4:C[3]-4:O[6]-2:C-3:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:O-2:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C(C[3,6]C[3,6]C[3]O[6])(OC)(O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	C(C[3,6]C[3,6]C[3]O[6])(OC)(O)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1
486	622	951	0:SP3_SP-NON_SP2	C[3,6]	O[6]	H	4:3:2:1:	3:4:	4:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[6,6a]-3:C[3,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	H(C[3,6]C[3,6]N[3]O[6])	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1
486	622	951	0:SP3_SP-NON_SP3	C[3,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3,5,6]-4:C[3,5]-4:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:	C[3,6]-4:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H)	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H)	H(C[3,6]C[3,5,6]C[3,5]O[6])	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[3,6]C[3,5,6]C[3,5]O[6])	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1
486	622	962	0:SP3_SP3_SP3	C[3,3,6]	O[6]	O[3]	7:2:2:2:	7:4:	7:4:	Nb[3,3,6,6]-7:O[3]-2:O[3]-2:O[6]-2:	Nb[3,3,6,6]-7:C[3,3,6]-4:	Nb[3,3,6,6]-7:C[3,3,6]-4:	C[3,3,6](Nb[3,3,6,6]N[6]2O[3]2O[6]N)(O[3]Nb[3,3,6,6])2(O[6]Nb[3,3,6,6])	O[6](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]2N)(C[3,3,6]Nb[3,3,6,6]O[3]2)	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6])	C[3,3,6](Nb[3,3,6,6]N[6]2O[3]2O[6]N)(O[3]Nb[3,3,6,6])2(O[6]Nb[3,3,6,6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|C<3>}	O[6](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]2N)(C[3,3,6]Nb[3,3,6,6]O[3]2){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6]){1|Nb<7>,1|C<4>,4|C<3>}	121.5727	2.195	4	121.5727	4.818	4	121.5727	4.818	4	121.5727	4.818	4	121.5727	4.818	4	119.3853	14.394	6
486	622	962	0:SP3_SP3_SP3	C[3,6,6]	O[6]	O[3]	4:4:2:2:	4:4:	4:4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:C[6,6]-4:	C[3,6,6]-4:C[3,6,6]-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])	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3)	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]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>}	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3){1|O<1>,4|H<1>,7|C<4>}	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]2){4|H<1>,6|C<4>}	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	119.3853	14.394	6
486	622	962	0:SP3_SP3_SP3	C[3,6]	O[6]	O[3]	4:3:2:2:	4:4:	4:4:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:C[6]-4:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H)	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH){1|C<4>,1|N<3>,1|O<1>}	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	119.3853	14.394	6
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:3:2:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.4420	1.143	2	115.4420	1.306	2	115.4420	1.306	2	115.4420	1.306	2	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:N[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3])	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3]){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.7525	0.301	2	118.7525	0.090	2	118.7525	0.090	2	118.7525	0.090	2	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:4:2:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:P[3]-4:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3])	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3]){2|H<1>,4|C<3>}	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.5810	0.000	1	113.5810	0.000	1	113.5810	0.000	1	113.5810	0.000	1	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	111.9660	0.000	1	111.9660	0.000	1	113.4718	3.581	4	113.4718	3.581	4	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	112.4200	0.000	1	112.4200	0.000	1	113.4718	3.581	4	113.4718	3.581	4	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,5|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,5|H<1>}	113.3190	0.000	1	113.3190	0.000	1	113.4718	3.581	4	113.4718	3.581	4	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>,4|H<1>}	116.1820	0.000	1	116.1820	0.000	1	113.4718	3.581	4	113.4718	3.581	4	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:2:	4:3:2:	4:3:3:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[6a]-3:C[6a]-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])	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[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]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.4175	0.811	2	112.4175	0.658	2	112.4175	0.658	2	112.4175	0.658	2	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	114.5400	1.779	3	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	114.5400	1.779	3	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|H<1>,4|C<3>}	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	114.5400	1.779	3	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	113.6010	0.505	3	113.6010	0.255	3	113.5952	1.152	8	113.5952	1.152	8	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|Cl<1>,3|C<3>,4|H<1>}	112.6910	0.318	2	112.6910	0.101	2	113.5952	1.152	8	113.5952	1.152	8	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	112.4440	0.000	1	112.4440	0.000	1	113.5952	1.152	8	113.5952	1.152	8	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH){4|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	114.7790	0.000	1	114.7790	0.000	1	113.5952	1.152	8	113.5952	1.152	8	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	115.3540	0.000	1	115.3540	0.000	1	113.5952	1.152	8	113.5952	1.152	8	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,4]-4:C[3,4]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,5]-4:P[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,2|H<1>,5|C<3>}	114.8300	0.000	2	114.8300	0.000	2	114.8300	0.000	2	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	110.2390	1.042	2	110.2390	1.086	2	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,5|C<3>}	112.6050	0.000	1	112.6050	0.000	1	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	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)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]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)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	110.9740	2.950	2	110.9740	8.703	2	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	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)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]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)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	112.2556	0.663	5	112.3613	0.418	6	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	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)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]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)2{2|O<1>,4|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	112.8900	0.000	1	112.3613	0.418	6	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	0:SP3_SP2_SP2	C[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2{2|N<2>,4|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	113.6470	0.000	1	113.6470	0.000	1	111.9038	2.176	12	112.6271	4.156	15	113.6987	4.533	39	113.6987	4.533	39
486	643	643	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3]-3:C[3]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2{1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	112.5857	7.356	3	112.5857	7.356	3
486	643	643	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	112.5857	7.356	3	112.5857	7.356	3
486	643	643	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6,6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	112.5857	7.356	3	112.5857	7.356	3
486	643	654	0:SP3_SP2_SP3	C[3,3,6]	C[6a]	B[3,3,6]	4:4:4:3:	4:3:3:	4:4:4:3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	124.3684	2.833	10
486	643	654	0:SP3_SP2_SP3	C[3]	C[6a]	B[3,5]	4:3:3:1:	4:3:3:	4:4:3:3:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2	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>}	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>}	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>}	127.7380	0.000	1	127.7380	0.000	1	127.7380	0.000	1	127.7380	0.000	1	127.7380	0.000	1	124.3684	2.833	10
486	643	654	0:SP3_SP2_SP3	C[3]	C[6a]	B[3]	4:4:3:1:	4:3:3:	4:4:3:3:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	124.1402	1.273	8	124.1402	1.621	8	124.1402	1.621	8	124.1402	1.621	8	124.1402	1.621	8	124.3684	2.833	10
486	643	706	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	S[3]	4:3:3:2:	4:3:3:	4:4:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5]-4:C[3,6]-4:	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5])	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5]){1|H<1>,2|C<4>,6|C<3>}	119.6170	2.451	2	119.6170	6.007	2	119.6170	6.007	2	119.6170	6.007	2	119.6170	6.007	2	120.1276	2.322	5
486	643	706	0:SP3_SP2_SP3	C[3]	C[6a]	S[3]	3:4:2:3:	4:3:3:	4:4:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	120.4680	1.206	3	120.1276	2.322	5
486	643	706	0:SP3_SP2_SP3	C[3]	C[6a]	S[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	120.4680	1.206	3	120.1276	2.322	5
486	643	706	0:SP3_SP2_SP3	C[3]	C[6a]	S[3]	4:3:2:3:	4:3:3:	4:4:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.4680	1.206	3	120.1276	2.322	5
486	643	727	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-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])	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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>}	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	119.6410	11.109	3	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5,6a]	4:3:4:3:	4:3:3:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	119.6410	11.109	3	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5,6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	119.6410	11.109	3	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[5a,6]	3:3:4:3:	4:3:3:	3:4:3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	114.7075	0.793	2	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[5a,6]	3:4:4:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.7075	0.793	2	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3]	C[6a]	C[5a]	3:4:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[5a]-3:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	113.6615	1.792	2	116.5230	12.823	7
486	643	727	0:SP3_SP2_SP2	C[3]	C[6a]	C[5a]	4:3:3:4:	4:3:3:	3:4:3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[3]-4:C[5a]-3:	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	113.6615	1.792	2	116.5230	12.823	7
486	643	762	0:SP3_SP2_SP2	C[3,6,6]	C[6a]	C[6,6]	4:4:3:3:	4:3:3:	4:4:1:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O){4|C<3>,4|H<1>}	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6,6]	3:4:4:3:	4:3:3:	4:3:4:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6]-3:C[6]-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)	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	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>}	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.2420	0.000	1	118.2420	0.000	1	118.2420	0.000	1	118.2420	0.000	1	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:O[6]-2:O-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]O[6]O)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[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]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	112.1500	0.000	1	112.1500	0.000	1	113.1813	1.020	3	113.1813	1.020	3	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:O[6]-2:O-1:	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[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	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>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.6970	0.666	2	113.6970	0.444	2	113.1813	1.020	3	113.1813	1.020	3	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3: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)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	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>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	113.3735	0.573	2	113.3735	0.329	2	113.6320	0.365	3	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3: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)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(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[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	114.1490	0.000	1	114.1490	0.000	1	113.6320	0.365	3	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3: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)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H)	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>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:H-1:	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[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	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>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-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)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(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]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	118.1310	0.000	1	118.1310	0.000	1	116.1276	1.629	5	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	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[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	115.6268	0.706	4	115.6268	0.499	4	116.1276	1.629	5	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|O<1>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	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[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(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){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	114.7340	0.000	1	114.7340	0.000	1	115.9180	2.804	2	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	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[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(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){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.1020	0.000	1	117.1020	0.000	1	115.9180	2.804	2	115.4175	1.942	13	115.1708	2.796	18	115.3736	2.951	20
486	643	762	0:SP3_SP2_SP2	C[3,6]	C[6a]	C[6]	4:4:3:3:	4:3:3:	4:4:1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:O-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)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O)	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>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	115.1708	2.796	18	115.3736	2.951	20
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6,6]	3:3:4:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O){1|N<2>,5|C<3>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	115.2331	5.162	8	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	3:3:4:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:N[6,6]-3:O-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	115.2331	5.162	8	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:2:2:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	115.2331	5.162	8	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	116.3095	0.175	2	116.3095	0.031	2	116.3095	0.031	2	116.3095	0.031	2	115.2331	5.162	8	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	3:4:4:3:	3:4:3:	4:4:1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[5,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	115.2331	5.162	8	115.3817	4.715	9
486	643	762	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[6]	4:3:4:3:	4:3:3:	4:2:2:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:O[6]-2:N-2:	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	112.5750	0.530	2	112.5750	0.281	2	112.5750	0.281	2	112.5750	0.281	2	115.2331	5.162	8	115.3817	4.715	9
486	643	778	0:SP3_SP2_SPD5	C[3,3,5,4x6]	C[6a]	C[3x3,5,5,7x6]	6:5:5:3:	4:3:3:	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:	C[3,3,5,4x6]-4:C[6a]-3: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](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)	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[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>}	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>}	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>}	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1	119.5350	0.000	1
486	643	818	0:SP3_SP2_SP2	C[3,5,6]	C[6a]	C[5,6]	4:4:3:3:	4:3:3:	4:3:3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	116.6860	1.489	4	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5,6]	C[6a]	C[5,6]	5:4:3:3:	4:3:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6]-4:C[6a]-3: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)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)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>}	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>}	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>}	115.3460	0.000	1	115.3460	0.000	1	116.2090	0.868	3	116.2090	0.868	3	116.6860	1.489	4	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5,6]	C[6a]	C[5,6]	5:4:3:3:	4:3:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6]-4:C[6a]-3: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)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)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>}	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>}	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>}	116.6405	0.787	2	116.6405	0.619	2	116.2090	0.868	3	116.2090	0.868	3	116.6860	1.489	4	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,5|C<3>}	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:3:2:3:	4:3:3:	4:3:1:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5,6]H)(O)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.8640	0.276	2	119.8640	0.076	2	119.8640	0.076	2	119.8640	0.076	2	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:C[6a]-3:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C[6a])(O[5]C[5])(O){1|N<3>,3|C<3>,3|H<1>}	118.3655	1.158	2	118.3655	1.340	2	118.3655	1.340	2	119.4343	4.097	3	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(O){2|C<3>,5|H<1>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	119.4343	4.097	3	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-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)	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O)	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>}	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6,6]C[3,6,6]C[6a])(N[5]C[5]S)(O){2|C<3>,2|C<4>,3|H<1>}	114.7810	0.000	1	114.7810	0.000	1	114.7810	0.000	1	116.5280	8.049	6	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(O){2|C<3>,5|H<1>}	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	116.5280	8.049	6	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.9850	0.417	2	119.9850	0.174	2	119.9850	0.174	2	116.5280	8.049	6	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[3]-4:P[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,7|C<3>}	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,3|H<1>,4|C<3>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H){1|W<6>,6|C<3>}	113.9670	0.000	2	113.9670	0.000	2	113.9670	0.000	2	116.5280	8.049	6	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:2:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	117.8720	0.781	2	117.8720	0.609	2	117.8720	0.609	2	118.3263	0.924	3	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:3:2:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a])	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(NC[6a]){2|C<3>,5|H<1>}	119.2350	0.000	1	119.2350	0.000	1	119.2350	0.000	1	118.3263	0.924	3	118.2862	5.843	18	117.9952	5.342	22
486	643	818	0:SP3_SP2_SP2	C[3,5]	C[6a]	C[5]	4:4:3:3:	4:3:3:	4:4:1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O){3|C<3>,4|H<1>}	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	118.2862	5.843	18	117.9952	5.342	22
486	643	818	6:SP3_SP2_SP2	C[3,5,6]	C[6,6a]	C[5,6]	4:3:3:2:	4:3:3:	4:4:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	117.7415	5.716	2
486	643	818	6:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:4:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	116.0510	0.000	1	116.0510	0.000	1	116.0510	0.000	1	116.0510	0.000	1	116.0510	0.000	1	117.7415	5.716	2
486	643	830	0:SP3_SP-NON_SP2	C[3]	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F)	F(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F){1|C<3>,1|I<1>,2|F<1>,3|H<1>}	F(C[3]C[6a]C[3]2)	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1
486	643	846	0:SP3_SP2_SP2	C[3,4]	C[6a]	C[4]	7:4:3:3:	4:3:3:	4:3:3:	Nb[4x3,4]-7:C[3,3]-4:C[4]-3:C[6a]-3:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:N[4]-3:C[6a]-3:	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2)	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2	C[4](C[3,4]Nb[4x3,4]C[3,3]C[6a])(N[4]Nb[4x3,4]C[6a])(C[6a]C[6a]2)	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[4](C[3,4]Nb[4x3,4]C[3,3]C[6a])(N[4]Nb[4x3,4]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<4>,6|C<3>}	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1
486	643	852	0:SP3_SP2_SP3	C[3,5]	C[6a]	P[3,5]	4:3:3:3:	4:3:3:	4:4:3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:P[5]-3:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C){8|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	117.3380	24.528	3
486	643	852	0:SP3_SP2_SP3	C[3]	C[6a]	P[3,5]	4:3:3:3:	4:3:3:	4:4:3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:P[5]-3:	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C){8|C<3>}	116.6125	6.775	2	116.6125	45.898	2	116.6125	45.898	2	116.6125	45.898	2	116.6125	45.898	2	117.3380	24.528	3
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:3:3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	118.4382	1.078	8	118.4382	1.078	8
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:3:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	118.2630	0.000	1	117.7430	0.347	4	117.7430	0.347	4	117.7430	0.347	4	118.4382	1.078	8	118.4382	1.078	8
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:3:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	117.7765	0.651	2	117.7430	0.347	4	117.7430	0.347	4	117.7430	0.347	4	118.4382	1.078	8	118.4382	1.078	8
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:3:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	117.1560	0.000	1	117.7430	0.347	4	117.7430	0.347	4	117.7430	0.347	4	118.4382	1.078	8	118.4382	1.078	8
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:4:3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	119.2460	0.000	1	119.2460	0.000	1	118.9880	1.193	3	118.9880	1.193	3	118.4382	1.078	8	118.4382	1.078	8
486	643	852	6:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	P[3,5,6]	3:3:3:4:	3:4:3:	4:4:3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	118.8590	1.512	2	118.8590	2.286	2	118.9880	1.193	3	118.9880	1.193	3	118.4382	1.078	8	118.4382	1.078	8
486	643	854	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	N[6]	3:4:4:4:	4:3:3:	4:4:4:1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6]-4:H-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)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	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>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1
486	643	856	0:SP3_SP2_SP2	C[3,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-3:S-4:	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[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	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>}	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	114.1854	0.896	5	114.1854	0.896	5
486	643	856	0:SP3_SP2_SP2	C[3,6]	C[6a]	N[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	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]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	113.8803	0.757	4	113.8803	0.574	4	113.8803	0.574	4	113.8803	0.574	4	114.1854	0.896	5	114.1854	0.896	5
486	643	856	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	N[6]	3:4:4:3:	4:3:3:	4:4:4:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6]-4:	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[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)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){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{2|Cl<1>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.2240	0.000	1	120.2240	0.000	1	120.6200	0.314	2	120.6200	0.314	2	120.6200	0.314	2	118.7177	11.013	3
486	643	856	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	N[6]	3:4:4:3:	4:3:3:	4:4:4:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6]-4:	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[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)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){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	121.0160	0.000	1	121.0160	0.000	1	120.6200	0.314	2	120.6200	0.314	2	120.6200	0.314	2	118.7177	11.013	3
486	643	856	0:SP3_SP2_SP3	C[3,6]	C[6a]	N[6]	4:4:3:3:	4:3:3:	4:3:1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	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]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	118.7177	11.013	3
486	643	865	0:SP3_SP2_SP3	C[3,3,6]	C[6a]	P[3x3,5]	4:4:4:3:	4:3:3:	4:4:4:4:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	121.8815	18.344	2
486	643	865	0:SP3_SP2_SP3	C[3,5,6]	C[6a]	P[3x3,5]	4:4:3:3:	4:3:3:	4:4:4:4:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	121.8815	18.344	2
486	643	872	0:SP3_SP2_SP3	C[3]	C[6a]	Si[3,5]	4:3:3:1:	4:3:3:	4:3:4:4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	129.3033	0.679	3	129.3033	0.461	3	129.3033	0.461	3	129.3033	0.461	3	129.3033	0.461	3	125.7126	25.893	5
486	643	872	0:SP3_SP2_SP3	C[3]	C[6a]	Si[3]	4:3:3:3:	4:3:3:	4:3:3:2:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|H<1>,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>}	120.3265	2.439	2	120.3265	5.948	2	120.3265	5.948	2	120.3265	5.948	2	120.3265	5.948	2	125.7126	25.893	5
486	643	880	0:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	Si	3:3:3:4:	3:4:3:	4:4:4:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:C-4:C-4:C-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	119.5020	0.000	1	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.2596	13.262	7
486	643	880	0:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	Si	3:3:3:4:	3:4:3:	4:4:4:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:C-4:C-4:C-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>}	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	119.6310	0.310	2	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.2596	13.262	7
486	643	880	0:SP3_SP2_SP3	C[3,6,6]	C[6,6,6a]	Si	3:3:3:4:	3:4:3:	4:4:4:4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-4:C-4:C-4:C-4:	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H)	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3,6,6]P[3,5,6]2Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<3>}	Si(C[3,6,6]C[6,6,6a]P[3,5,6]2)(CH3)3	120.5380	0.000	1	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.8255	0.261	4	119.2596	13.262	7
486	643	880	0:SP3_SP2_SP3	C[3]	C[6a]	Si	3:3:2:4:	4:3:3:	4:4:4:4:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C-4:C-4:C-4:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	118.5050	37.901	3	119.2596	13.262	7
486	643	880	0:SP3_SP2_SP3	C[3]	C[6a]	Si	4:3:3:4:	4:3:3:	4:4:4:4:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)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>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	118.5050	37.901	3	119.2596	13.262	7
486	643	880	0:SP3_SP2_SP3	C[3]	C[6a]	Si	4:3:4:4:	4:3:3:	4:4:4:4:	C[3]-4:C[6a]-3:C[3]-4:Si-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C-4:C-4:C-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3)	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2	Si(C[3]C[6a]C[3]2)(CH3)3	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	Si(C[3]C[6a]C[3]2)(CH3)3	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	118.5050	37.901	3	119.2596	13.262	7
486	643	881	0:SP3_SP2_SPD5	C[3]	C[6a]	Si[3,4]	5:3:3:1:	4:3:3:	4:3:3:3:3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<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>}	121.3610	0.000	1	121.3610	0.000	1	121.3610	0.000	1	121.3610	0.000	1	121.7160	0.252	2	121.7160	0.252	2
486	643	881	0:SP3_SP2_SPD5	C[3]	C[6a]	Si[3,4]	5:3:3:1:	4:3:3:	4:3:3:3:4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<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>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	121.7160	0.252	2	121.7160	0.252	2
486	643	893	0:SP3_SP2_SP3	C[3]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[3]-4:C[3]-4:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:Si-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	O(C[3]C[6a]C[3]2)(SiC3)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[3]C[6a]C[3]2)(SiC3)	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	114.0017	0.202	3	114.0017	0.202	3
486	643	893	0:SP3_SP2_SP3	C[3]	C[6a]	O	4:3:4:2:	3:3:4:	4:4:	C[3]-4:C[6a]-3:C[3]-4:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C-4:	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	O(C[3]C[6a]C[3]2)(CH3)	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[3]C[6a]C[3]2)(CH3)	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	114.0017	0.202	3	114.0017	0.202	3
486	643	893	0:SP3_SP2_SP3	C[3]	C[6a]	O	4:4:3:2:	4:3:3:	4:4:	C[3,5,6]-4:C[3]-4:C[6a]-3:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C-4:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2	O(C[3]C[3,5,6]C[6a]C[3])(CH3)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[3]C[3,5,6]C[6a]C[3])(CH3)	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	114.0017	0.202	3	114.0017	0.202	3
486	643	902	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[3]	3:3:3:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[3]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3](C[3,6]C[6,6a]C[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	119.7528	3.151	11	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3]-3:C[3]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3](C[3,6]C[6,6a]2C[3])(C[3]C[3,6]C[6a])(C[6a]C[6a]2)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[6a]C[3])2{1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]2C[3])(C[3]C[3,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.3600	1.477	4	119.3600	2.183	4	119.3600	2.183	4	119.3600	2.183	4	119.7528	3.151	11	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[3]	3:3:4:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:N[3]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6]){2|C<4>,2|H<1>,5|C<3>}	121.7787	0.737	3	120.9248	3.279	4	120.9248	3.279	4	120.9248	3.279	4	119.7528	3.151	11	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[3]	3:3:4:2:	4:3:3:	4:3:2:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:N[3]-2:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[6,6a]C[6]N[3])(C[6a]C[6a]2)(N[3]C[3,6]){2|H<1>,3|C<4>,4|C<3>}	118.3630	0.000	1	120.9248	3.279	4	120.9248	3.279	4	120.9248	3.279	4	119.7528	3.151	11	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C[3]	3:4:3:1:	3:4:3:	4:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:C-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]H){4|C<3>}	118.9840	2.309	2	118.9840	5.333	2	118.9840	5.333	2	118.9840	5.333	2	119.7528	3.151	11	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:2:1:	4:3:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:2:2:	4:3:3:	4:2:4:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-2:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3){2|C<3>}	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:2:2:	4:3:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:2:3:	4:3:3:	4:2:4:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-2:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3])(CH3){2|C<3>}	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:2:4:	4:3:3:	4:3:2:	C[3]-3:C[6a]-3:N[3]-2:Si-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[3]-2:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]Si)(C[6a]C[6a]2)(N[3]C[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(SiC3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]Si)(C[6a]C[6a]2)(N[3]C[3]){2|H<1>,4|C<3>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:1:	3:3:4:	4:3:3:	C[3]-3:C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:C[6a]-3:	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]Si[5]C[3])(C[6a]C[6a]2)	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]Si[5]C[3])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:1:	3:3:4:	4:3:4:	C[3]-3:C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:Si[5]-4:	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3])(Si[5]C[5]2O)	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3])(Si[5]C[5]2O){3|Si<4>,1|C<4>,5|C<3>}	122.8540	0.000	1	122.8540	0.000	1	122.8540	0.000	1	122.8540	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:2:	3:3:4:	4:3:3:	C[3]-3:C[3]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:C[6a]-3:	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(C[6a]C[6a]2)	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.4935	1.725	2	120.4935	2.974	2	120.4935	2.974	2	120.4935	2.974	2	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:2:	4:3:3:	4:2:3:	C[6a]-3:C[6a]-3:C[3]-3:N[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-2:C-3:	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3])	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[3]C[6a]2N[3])(N[3]C[3])(CCN)	C[3](C[6a]C[6a]2)2(C[3]N[3]C)(N[3]C[3]){4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[3](C[3]C[6a]2N[3])(N[3]C[3])(CCN){4|C<3>}	119.0607	0.535	4	119.0607	0.287	4	119.0607	0.287	4	119.0607	0.287	4	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:H-1:	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C)(H){2|C<3>}	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:3:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-3:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]C)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]C){1|H<1>,1|O<2>,4|C<3>}	121.3600	0.000	1	120.4250	1.437	4	120.5338	1.137	5	120.5338	1.137	5	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:3:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-3:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]C)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]C){2|H<1>,4|C<3>}	120.1133	1.254	3	120.4250	1.437	4	120.5338	1.137	5	120.5338	1.137	5	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:3:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-3:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]Si)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]Si){2|H<1>,4|C<3>}	120.9690	0.000	1	120.9690	0.000	1	120.5338	1.137	5	120.5338	1.137	5	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:C-4:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(CCHH)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(CCHH){4|C<3>}	119.3040	0.000	1	119.3040	0.000	1	119.2725	0.870	4	119.6982	1.720	6	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:C-4:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(CH3)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(CH3){4|C<3>}	119.2620	1.142	3	119.2620	1.304	3	119.2725	0.870	4	119.6982	1.720	6	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:4:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:Si-4:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(SiC3)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3])(SiC3){4|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	119.6982	1.720	6	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[3]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-3:C-4:	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]H)(CHHO)	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]H)(CHHO){2|C<3>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	119.6982	1.720	6	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-3:C-3:	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6])(CCH)	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6])(CCH){2|C<4>,4|C<3>}	117.4135	1.766	2	117.4135	3.118	2	117.4135	3.118	2	117.9983	1.774	4	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-3:C[6]-3:	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]C)(C[6]C[6]2)	C[3](C[3]C[3]C[6])(C[6a]C[6a]2)2(C[3]C[3]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]C)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	118.5830	0.915	2	118.5830	0.837	2	118.5830	0.837	2	117.9983	1.774	4	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:4:3:1:	3:3:4:	4:4:2:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-2:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN){2|C<3>}	122.8540	0.000	1	122.8540	0.000	1	122.8540	0.000	1	122.8540	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CSeC)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CSeC){2|C<3>}	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	902	0:SP3_SP2_SP2	C[3]	C[6a]	C[3]	3:4:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[3]-4:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]H){2|C<3>}	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	120.0736	3.499	32	119.9916	3.353	43
486	643	930	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C	3:4:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:O-2:O-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]CH)(COO)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	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>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	115.0730	3.580	2	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:O-2:O-1:	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[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	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>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	115.0730	3.580	2	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:3:2:3:	4:3:3:	4:4:1:	C[6a]-3:C[3]-3:N[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C-4:O-1:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]N[3])(CH3)(O)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CCO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[6a]C[3]N[3])(CH3)(O)	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:3:3:3:	3:3:4:	4:2:1:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]C)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	117.2285	1.854	4	117.2285	3.439	4	116.5842	4.655	5	116.6297	3.736	6	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:3:3:3:	3:3:4:	4:2:1:	C[3]-3:C[6a]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]Si)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	114.0070	0.000	1	114.0070	0.000	1	116.5842	4.655	5	116.6297	3.736	6	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:3:3:3:	3:3:4:	4:2:1:	N[3]-3:N[3]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	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>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){2|H<1>,3|C<3>}	C(C[3]C[6a]N[3]2)(OC)(O)	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	116.6297	3.736	6	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-3:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[5]-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]C)(C[3]C[3]H)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,3|H<1>}	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	116.5030	0.000	1	116.5030	0.000	1	116.5030	0.000	1	116.5030	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:2:3:	4:3:2:	4:3:1:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[6a]-3:O-1:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(O)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(O)	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:2:3:	4:3:3:	4:2:1:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]O[3])(OC)(O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]O[3])(OC)(O)	114.1980	0.000	1	114.1980	0.000	1	115.9945	6.455	2	115.9945	6.455	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:2:3:	4:3:3:	4:2:1:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]O[3])(OH)(O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]O[3])(OH)(O)	117.7910	0.000	1	117.7910	0.000	1	115.9945	6.455	2	115.9945	6.455	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6a]-3:C[3]-4:C[3]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:3:3:	4:3:3:	4:1:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-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)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C(C[3]C[6a]C[3]N[3])(H)2	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-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)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,4|H<1>}	C(C[3]C[6a]C[3]N[3])(OC)(O)	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-1:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(O)2	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	C(C[3]C[6a]C[3]2)(O)2	117.4400	0.000	1	117.4400	0.000	1	117.4400	0.000	1	117.4400	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|C<4>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	117.1030	0.000	1	114.5677	6.005	3	115.3312	4.757	5	115.3312	4.757	5	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	113.3000	1.539	2	114.5677	6.005	3	115.3312	4.757	5	115.3312	4.757	5	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	115.3260	0.000	1	115.3260	0.000	1	115.3312	4.757	5	115.3312	4.757	5	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	117.6270	0.000	1	117.6270	0.000	1	115.3312	4.757	5	115.3312	4.757	5	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(CHH)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C(C[3]C[6a]C[3]2)(CHH)(H)	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(C[6a]C[6a]2)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(C[6a]C[6a]2)(O)	111.9652	0.375	6	111.9652	0.141	6	111.9652	0.141	6	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCS)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCS)(O)	113.4760	0.000	1	113.4760	0.000	1	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	114.9980	0.000	1	114.9980	0.000	1	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NHH)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C(C[3]C[6a]C[3]2)(NHH)(O)	117.6230	0.000	1	117.6230	0.000	1	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|I<1>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	113.8450	0.911	3	113.8450	0.829	3	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	116.3610	0.000	1	115.8953	0.277	3	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	115.3250	0.000	1	115.8953	0.277	3	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Cl<1>,1|C<3>,1|N<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	116.0000	0.000	1	115.8953	0.277	3	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	116.1087	1.457	3	116.1087	2.124	3	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	116.4665	0.503	2	116.4665	0.253	2	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	121.1540	0.000	1	121.1540	0.000	1	115.8487	4.098	15	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[5]-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	114.8170	0.000	1	114.8170	0.000	1	114.7270	0.016	2	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[5]-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	114.6370	0.000	1	114.6370	0.000	1	114.7270	0.016	2	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[6]-3:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	114.8138	5.409	25	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C-4:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(CCHH)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|O<2>,4|H<1>}	C(C[3]C[6a]C[3]2)(CCHH)(O)	117.6320	0.000	1	117.6320	0.000	1	118.3755	1.106	2	118.3755	1.106	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C-4:O-1:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(CH3)(O)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(CH3)(O)	119.1190	0.000	1	119.1190	0.000	1	118.3755	1.106	2	118.3755	1.106	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	3:4:4:3:	3:4:2:	4:2:1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a]-3:C[3]-4:N[6a]-2:	C[3]-4:O-2:O-1:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]O[3])(OC)(O)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]O[3])(OC)(O)	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:2:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-2:O-2:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]O[3])(NS)(OC)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]O[3])(NS)(OC)	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C-3:O-1:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]O[3])(CC[6a]O)(O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C(C[3]C[6a]C[3]O[3])(CC[6a]O)(O)	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	114.0035	1.133	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:1:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[5]-3:O-1:	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]S[3])(N[5]C[5,5]C[5])(O)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]S[3])(N[5]C[5,5]C[5])(O)	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	114.0035	1.133	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]N[3])(OC)(O)	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	116.2480	0.000	1	116.2480	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<3>,1|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	117.8310	0.000	1	117.8310	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	117.4610	0.000	1	117.4610	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|B<3>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	118.8230	0.000	1	118.8230	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	115.9960	0.000	1	115.9960	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	115.9150	0.000	1	113.2680	4.337	4	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	112.3857	1.354	3	113.2680	4.337	4	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	118.5540	0.000	1	118.5540	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(ON[5])(O)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(ON[5])(O)	118.3390	0.000	1	118.3390	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	114.6210	0.000	1	114.6210	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(OC)(O)	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(OC)(O)	116.0300	0.000	1	116.0300	0.000	1	115.9212	5.850	13	115.9212	5.850	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-2:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(ORh)2	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]2)(ORh)2	115.6520	0.000	1	115.6520	0.000	1	115.3994	2.705	8	115.3994	2.705	8	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-2:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(ORh)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	C(C[3]C[6a]C[3]2)(ORh)2	115.7070	1.888	3	115.3633	3.143	7	115.3994	2.705	8	115.3994	2.705	8	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:O-2:O-2:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(ORh)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(ORh)2	115.1055	1.925	4	115.3633	3.143	7	115.3994	2.705	8	115.3994	2.705	8	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:3:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|B<3>,1|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	114.9235	0.933	2	114.9235	0.870	2	114.2283	1.849	4	113.2944	2.332	7	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:3:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(NCC)(O)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(NCC)(O)	113.5330	1.656	2	113.5330	2.742	2	114.2283	1.849	4	113.2944	2.332	7	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:3:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[5]-3:O-1:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(N[5]C[5]2)(O)	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	113.2944	2.332	7	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:3:4:3:	3:3:4:	4:3:1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N[6]-3:O-1:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	111.8305	0.135	2	111.8305	0.018	2	111.8305	0.018	2	113.2944	2.332	7	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,4]-4:C[3,4]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2	C(C[3]C[3,4]2C[6a])(OC)(O)	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3]C[3,4]2C[6a])(OC)(O)	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,4]-4:C[3]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2	C(C[3]C[3,4]C[6a]C[3])(OC)(O)	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[3,4]C[6a]C[3])(OC)(O)	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(OH)(O)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[3]C[3,5]2C[6a])(OH)(O)	113.6980	0.116	2	113.6980	0.013	2	116.5777	7.038	7	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(OC)(O)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[3]C[3,5]2C[6a])(OC)(O)	118.0390	0.000	1	118.2050	0.055	2	116.5777	7.038	7	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(OC)(O)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C(C[3]C[3,5]2C[6a])(OC)(O)	118.3710	0.000	1	118.2050	0.055	2	116.5777	7.038	7	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(OC)(O)	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[3]C[3,5]2C[6a])(OC)(O)	115.6740	0.226	2	115.6740	0.051	2	116.5777	7.038	7	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(OC)(O)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C(C[3]C[3,5]2C[6a])(OC)(O)	120.8900	0.000	1	120.8900	0.000	1	116.5777	7.038	7	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C(C[3]C[3,5]C[6a]C[3])(OC)(O)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C(C[3]C[3,5]C[6a]C[3])(OC)(O)	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C(C[3]C[3,6]2C[6a])(OC)(O)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO){4|C<3>,6|H<1>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3]C[3,6]2C[6a])(OC)(O)	117.4710	0.000	1	117.4710	0.000	1	115.7523	6.128	3	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C(C[3]C[3,6]2C[6a])(OC)(O)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[3,6]2C[6a])(OC)(O)	112.9150	0.000	1	114.8930	7.825	2	115.7523	6.128	3	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-2:O-1:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C(C[3]C[3,6]2C[6a])(OC)(O)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[3]C[3,6]2C[6a])(OC)(O)	116.8710	0.000	1	114.8930	7.825	2	115.7523	6.128	3	115.6045	6.835	13	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-3:O-1:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5]2C[6a])(NCC)(O)	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3]C[3,5]2C[6a])(NCC)(O)	113.1175	0.213	2	113.1175	0.045	2	113.1175	0.045	2	113.1175	0.045	2	115.3764	5.819	98	115.3704	5.739	100
486	643	930	0:SP3_SP2_SP2	C[3]	C[6a]	C	4:4:3:3:	4:3:3:	4:4:2:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:Si-4:C-2:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C(C[3]C[3,5]C[6a]C[3])(SiC3)(CO)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C(C[3]C[3,5]C[6a]C[3])(SiC3)(CO)	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	115.3764	5.819	98	115.3704	5.739	100
486	643	941	0:SP3_SP2_SP2	C[3]	C[6a]	N	4:3:4:2:	3:3:4:	4:2:	C[3]-4:C[6a]-3:C[3]-4:N-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-2:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	N(C[3]C[6a]C[3]2)(NN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){3|C<3>,4|H<1>}	N(C[3]C[6a]C[3]2)(NN)	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1
486	643	951	0:SP3_SP-NON_SP2	C[3,6,6]	C[6,6,6a]	H	4:4:3:1:	3:4:3:	4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6]-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[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H)	H(C[3,6,6]C[6,6,6a]C[3,5,6]2)	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[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[3,6,6]C[6,6,6a]C[3,5,6]2)	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[3,6]C[6,6a]N[3,6]O[3])	113.9165	4.515	2	113.9165	20.384	2	113.9165	20.384	2	113.9165	20.384	2	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[3,6]C[6,6a]N[3,6]C[3])	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]O[3])	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[3,6]C[6,6a]C[3,6]O[3])	116.5820	0.000	1	116.5820	0.000	1	116.4683	0.014	3	116.4683	0.014	3	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]O[3])	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[3,6]C[6,6a]C[3,6]O[3])	116.4115	0.088	2	116.4115	0.008	2	116.4683	0.014	3	116.4683	0.014	3	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]O[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>}	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]O[3])	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	113.0155	25.326	2	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	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>}	H(C[3,6]C[6,6a]N[3,6]O[3])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	113.0155	25.326	2	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[3,6]C[6,6a]C[3,6]C[3])	116.4070	0.699	2	116.4070	0.488	2	116.4070	0.488	2	116.4070	0.488	2	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[3,6]C[6,6a]C[3,6]N[3])	116.7420	0.331	2	116.7733	0.058	3	110.9754	134.501	4	110.9754	134.501	4	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]N[3])	116.8360	0.000	1	116.7733	0.058	3	110.9754	134.501	4	110.9754	134.501	4	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]N[3])	93.5817	0.000	1	93.5817	0.000	1	110.9754	134.501	4	110.9754	134.501	4	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.2600	0.000	1	115.2600	0.000	1	115.6123	0.071	6	115.6123	0.071	6	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	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[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.9890	0.000	1	115.9890	0.000	1	115.6123	0.071	6	115.6123	0.071	6	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.5210	0.165	2	115.5210	0.027	2	115.6123	0.071	6	115.6123	0.071	6	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.6915	0.177	2	115.6915	0.032	2	115.6123	0.071	6	115.6123	0.071	6	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.2380	0.000	1	115.2380	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	117.0000	0.000	1	117.0000	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	116.2430	0.000	1	114.7710	1.261	4	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	114.6460	0.304	2	114.7710	1.261	4	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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){2|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	113.5490	0.000	1	114.7710	1.261	4	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[3,6]C[6,6a]C[3,6]C[3])	117.2810	0.000	1	117.2810	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	H(C[3,6]C[6,6a]C[3,6]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|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.9970	1.003	2	115.9970	1.005	2	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	117.2510	0.000	1	117.2510	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[3,6]C[6,6a]C[3,6]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|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.4290	0.000	1	115.4290	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	116.7370	0.000	1	116.7370	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.4660	0.000	1	115.4660	0.000	1	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.6380	0.079	2	115.6380	0.006	2	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-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)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	117.3250	0.738	2	117.3250	0.545	2	115.9651	1.317	17	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.5830	0.000	1	115.5830	0.000	1	115.8143	0.088	3	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	116.1480	0.000	1	115.9300	0.095	2	115.8143	0.088	3	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.7120	0.000	1	115.9300	0.095	2	115.8143	0.088	3	115.9425	1.122	20	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[3,6]C[3,3x6]C[6,6a]O[3])	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>}	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[3,6]C[3,3x6]C[6,6a]O[3])	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:	C[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]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[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]C[6a]H)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3,6]C[6,6a]C[3,6]C[3])	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[3,6]C[3,5,6]C[6,6a]C[3])	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[3,6]C[3,5,6]C[6,6a]C[3])	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	115.4467	0.132	11	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.0160	0.000	1	115.0160	0.000	1	115.4583	0.145	10	115.4467	0.132	11	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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]C[3]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]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]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.3775	0.344	4	115.3775	0.118	4	115.4583	0.145	10	115.4467	0.132	11	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3,6]C[6,6a]C[3,6]C[3])	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3,6]C[6,6a]C[3,6]C[3])	115.6114	0.391	5	115.6114	0.153	5	115.4583	0.145	10	115.4467	0.132	11	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:	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[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	H(C[3,6]C[3,6,6]C[6,6a]C[3,6])	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>}	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	H(C[3,6]C[3,6,6]C[6,6a]C[3,6])	115.1650	0.000	1	115.1650	0.000	1	115.1650	0.000	1	115.1650	0.000	1	115.2758	10.984	54	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H)	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>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[3]C[6a]N[3]O[3])	115.6145	0.045	4	115.6145	0.002	4	115.6145	0.002	4	115.6145	0.002	4	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:2:1:	4:3:2:	4:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]N[3]O[3])	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[3]-3:C[6a]-3:N[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]N[3])	117.0270	0.000	1	117.0270	0.000	1	117.0270	0.000	1	117.0270	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[3]-3:C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3])(C[3]Si[5]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]2)	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	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>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.8510	0.000	1	114.8510	0.000	1	114.1863	1.472	3	114.1863	1.472	3	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	114.9220	0.000	1	114.9220	0.000	1	114.1863	1.472	3	114.1863	1.472	3	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	112.7860	0.000	1	112.7860	0.000	1	114.1863	1.472	3	114.1863	1.472	3	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]O[3])	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	115.6017	0.304	7	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[3]C[6a]C[3]O[3])	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	115.6017	0.304	7	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	H(C[3]C[6a]C[3]O[3])	115.7910	0.000	1	115.7910	0.000	1	115.8526	0.172	5	115.6017	0.304	7	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.4585	0.012	2	115.4585	0.000	2	115.8526	0.172	5	115.6017	0.304	7	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	H(C[3]C[6a]C[3]O[3])	116.2775	0.111	2	116.2775	0.012	2	115.8526	0.172	5	115.6017	0.304	7	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.0970	0.000	1	115.1440	0.279	5	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.5950	0.000	1	115.1440	0.279	5	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.6190	0.000	1	115.1440	0.279	5	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]O[3])	114.7045	0.547	2	115.1440	0.279	5	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	114.9260	0.000	1	114.9260	0.000	1	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[3]C[6a]C[3]O[3])	116.2680	0.000	1	116.2680	0.000	1	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	114.8680	0.000	1	114.8680	0.000	1	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.6050	0.000	1	115.6050	0.000	1	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	116.3320	0.000	1	116.3320	0.000	1	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.4580	0.363	2	115.6335	0.087	4	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.8090	0.078	2	115.6335	0.087	4	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	114.6920	0.000	1	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.5397	0.889	8	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	114.5785	0.060	2	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[3]C[6a]C[3]O[3])	120.6380	0.000	1	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	116.7050	0.052	2	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.0793	0.389	6	115.6345	2.035	20	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.6210	0.000	1	114.8580	1.164	2	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[3]C[6a]C[3]O[3])	114.0950	0.000	1	114.8580	1.164	2	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	113.8030	1.420	2	114.5687	1.454	4	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.3345	0.012	2	114.5687	1.454	4	115.4234	1.352	40	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]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>}	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>}	H(C[3]C[6a]N[3]O[3])	116.2720	0.403	2	116.2720	0.162	2	116.2720	0.162	2	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	H(C[3]C[6a]O[3]P[3])	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	114.7835	0.074	2	114.7835	0.006	2	115.2213	0.121	6	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	H(C[3]C[6a]O[3]P[3])	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|F<1>}	H(C[3]C[6a]O[3]P[3])	115.4890	0.000	1	115.4823	0.002	3	115.2213	0.121	6	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	H(C[3]C[6a]O[3]P[3])	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.4790	0.065	2	115.4823	0.002	3	115.2213	0.121	6	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.3140	0.000	1	115.3140	0.000	1	115.2213	0.121	6	115.4335	1.174	48	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	112.9570	0.000	1	112.9570	0.000	1	114.1905	3.043	2	114.1905	3.043	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.4240	0.000	1	115.4240	0.000	1	114.1905	3.043	2	114.1905	3.043	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H)	H(C[3]C[6a]C[3]N[3])	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|Cl<1>,1|S<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	115.0385	0.102	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H)	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>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	115.0385	0.102	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	114.8800	0.000	1	114.8800	0.000	1	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	116.5443	0.245	4	116.5443	0.060	4	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[3]C[6a]C[3]N[3])	115.3010	0.000	1	115.3010	0.000	1	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.4723	0.469	4	115.1492	1.288	6	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	116.1260	0.000	1	115.1492	1.288	6	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	116.8800	0.000	1	115.1492	1.288	6	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	114.7510	0.447	2	114.7510	0.200	2	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	115.0482	0.356	4	115.0482	0.126	4	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	115.8710	0.000	1	115.8710	0.000	1	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	115.0335	0.395	11	115.0335	0.156	11	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	113.1330	0.000	1	113.1330	0.000	1	115.2039	0.721	31	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	114.7290	0.000	1	114.7290	0.000	1	114.7290	0.000	1	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:3:1:	4:3:3:	4:	Nb[11x3]-3:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2	H(C[3]Nb[11x3]C[6a]C[3])	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H){10|H<1>,2|Si<4>,4|C<3>}	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2{10|C<4>,2|C<3>,4|H<1>}	H(C[3]Nb[11x3]C[6a]C[3])	111.0935	0.815	2	111.0935	0.665	2	111.0935	0.665	2	114.9481	1.639	34	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.0115	0.392	2	115.0115	0.154	2	115.0710	0.088	3	114.6324	1.385	5	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.1900	0.000	1	115.1900	0.000	1	115.0710	0.088	3	114.6324	1.385	5	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	S[6a]-2:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.9745	1.981	2	113.9745	3.923	2	113.9745	3.923	2	114.6324	1.385	5	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	2:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-2:C[3]-4:N[6a]-2:	C[3]-4:	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[3]-4:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	H(C[3]C[6a]C[3]2)	114.2107	0.384	4	114.2107	0.147	4	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,3|H<1>,5|C<3>}	H(C[3]C[6a]C[3]2)	113.4060	0.000	2	113.4060	0.000	2	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H){5|C<3>,6|H<1>}	H(C[3]C[6a]C[3]2)	114.8760	0.000	1	114.8760	0.000	1	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[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]C[6a]C[3]2)	114.8092	0.999	4	114.8092	0.999	4	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){1|C<4>,5|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.8370	0.000	1	114.8945	0.007	2	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){5|C<3>,6|H<1>}	H(C[3]C[6a]C[3]2)	114.9520	0.000	1	114.8945	0.007	2	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H){5|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.0305	0.340	2	115.0305	0.116	2	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.4790	0.000	1	115.4790	0.000	1	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[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](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	H(C[3]C[6a]C[3]2)	113.2770	0.000	1	113.2770	0.000	1	114.4926	0.634	17	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[3]C[6a]C[3]2)	113.8350	0.000	1	113.8350	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	115.1270	0.000	1	115.1270	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]2)	114.4940	0.000	1	113.6524	0.396	14	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.4995	0.441	2	113.6524	0.396	14	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.2792	0.562	4	113.6524	0.396	14	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.8903	0.352	4	113.6524	0.396	14	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	H(C[3]C[6a]C[3]2)	113.6540	1.024	3	113.6524	0.396	14	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	H(C[3]C[6a]C[3]2)	114.2430	0.000	1	114.2430	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	115.1220	0.000	1	115.1220	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.6200	0.000	1	114.6200	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H){1|C<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[3]C[6a]C[3]2)	114.6040	0.000	1	114.6040	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]2)	114.4230	0.601	2	114.6713	0.421	7	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	115.3750	0.000	1	114.6713	0.421	7	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.5335	0.302	2	114.6713	0.421	7	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.8640	0.000	1	114.6713	0.421	7	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.5470	0.000	1	114.6713	0.421	7	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	112.4853	1.454	3	113.7193	0.772	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.7830	0.300	5	113.7193	0.772	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.9340	0.000	1	113.7193	0.772	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.0074	0.673	11	113.7193	0.772	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.0860	0.000	1	114.0860	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.1520	0.000	1	113.1520	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]2)	112.3400	0.000	1	113.1265	1.237	2	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|H<1>,2|C<2>,3|C<3>}	H(C[3]C[6a]C[3]2)	113.9130	0.000	1	113.1265	1.237	2	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.4567	0.318	3	114.4567	0.101	3	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.0787	1.475	4	115.0787	2.176	4	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	116.2330	0.000	1	116.2330	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.8055	0.302	2	114.8055	0.091	2	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.5854	0.414	7	114.3100	0.840	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.8090	0.000	1	114.3100	0.840	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.1911	1.128	12	114.3100	0.840	20	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.5980	0.000	1	113.5980	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	117.1270	0.000	1	117.1270	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.6885	3.478	2	114.6110	2.079	12	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.9950	0.569	5	114.6110	2.079	12	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.7960	1.128	5	114.6110	2.079	12	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	116.1836	3.203	5	116.1836	10.262	5	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|P<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.7310	0.000	1	113.7310	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.3960	0.000	1	114.3960	0.000	1	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.8020	0.217	3	114.8020	0.047	3	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|S<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	113.7730	0.250	2	113.7730	0.063	2	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.9610	0.427	2	114.9610	0.182	2	114.3300	1.543	109	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.4640	0.375	2	114.4640	0.140	2	114.4517	0.071	3	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.4270	0.000	1	114.4270	0.000	1	114.4517	0.071	3	114.3490	1.372	131	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[3]-4:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.9470	0.000	1	114.9470	0.000	1	115.4745	0.557	2	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[3]-4:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	116.0020	0.000	1	116.0020	0.000	1	115.4745	0.557	2	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.7970	0.000	1	115.7970	0.000	1	115.7310	0.009	2	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.6650	0.000	1	115.6650	0.000	1	115.7310	0.009	2	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:O[6a]-2:	C[3]-4:	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.9130	0.142	4	114.9130	0.020	4	114.9950	0.049	5	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:O[6a]-2:	C[3]-4:	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a])	H(C[3]C[6a]C[3]2)	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.3230	0.000	1	115.3230	0.000	1	114.9950	0.049	5	115.2651	0.206	9	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	3:4:4:1:	4:2:2:	4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N[6a]-2:N[6a]-2:	C[3]-4:	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	H(C[3]C[6a]C[3]2)	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.5115	0.206	2	115.5115	0.042	2	115.5115	0.042	2	115.5115	0.042	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]O[3])	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[3]C[3,5]C[6a]O[3])	114.5480	1.000	2	114.5480	1.000	2	114.9560	0.799	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[3]C[3,5]C[6a]O[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]O[3])	114.7820	0.000	1	114.7820	0.000	1	114.9560	0.799	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]O[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]O[3])	115.8850	0.393	2	115.2860	1.154	3	114.9560	0.799	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]O[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]O[3])	114.0880	0.000	1	115.2860	1.154	3	114.9560	0.799	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]O[3])	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>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,6]C[6a]O[3])	114.8000	0.000	1	114.8000	0.000	1	113.9250	1.165	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]O[3])	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[3]C[3,6]C[6a]O[3])	114.5253	0.384	3	114.5253	0.147	3	113.9250	1.165	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]O[3])	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[3]C[3,6]C[6a]O[3])	112.5870	0.322	2	112.5870	0.104	2	113.9250	1.165	6	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.4400	0.000	1	115.4400	0.000	1	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.3585	0.824	2	115.1077	0.362	4	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]O[3])	114.8570	0.393	2	115.1077	0.362	4	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[3]C[6a]C[3]O[3])	115.5345	0.179	2	115.5670	0.019	4	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]O[3])	115.5995	0.148	2	115.5670	0.019	4	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	117.1620	0.000	1	117.1620	0.000	1	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[3]C[6a]C[3]O[3])	114.9520	0.000	1	115.1303	0.062	3	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]O[3])	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]O[3])	115.2195	0.276	2	115.1303	0.062	3	115.4378	0.419	13	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]S[3])	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]S[3])	120.5680	0.000	1	120.5680	0.000	1	120.5680	0.000	1	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.1610	0.000	1	115.1610	0.000	1	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.1430	0.000	1	115.1430	0.000	1	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.1440	0.000	1	115.1440	0.000	1	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	114.5780	0.242	2	114.5780	0.058	2	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	115.4550	0.997	2	115.4550	0.994	2	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]O[3]P[3])	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[3]C[6a]O[3]P[3])	114.5110	0.798	2	114.5110	0.636	2	114.9484	0.373	9	115.1166	1.700	35	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]B[3,5]O[3,5]H)(C[6a]C[6a]F)2	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>}	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>}	H(C[3]B[3,5]O[3,5]C[6a])	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-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)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]N[3])	114.3420	0.000	1	114.8795	0.578	2	114.8795	0.578	2	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-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)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,5]C[6a]N[3])	115.4170	0.000	1	114.8795	0.578	2	114.8795	0.578	2	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.6500	0.000	1	115.6500	0.000	1	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.0480	0.000	1	115.0480	0.000	1	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.6660	0.000	1	115.6660	0.000	1	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.2000	0.249	2	115.4903	0.284	3	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	116.0710	0.000	1	115.4903	0.284	3	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	116.3050	0.000	1	115.7888	0.778	6	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.5245	1.008	4	115.7888	0.778	6	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	116.3300	0.000	1	115.7888	0.778	6	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]C[3,5]N[3,5]C[6a])	115.3020	0.000	1	115.3020	0.000	1	115.6054	0.426	13	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3]C[3,6]N[3,6]C[6a])	114.3290	0.000	1	114.5200	0.073	2	114.5200	0.073	2	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	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)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3]C[3,6]N[3,6]C[6a])	114.7110	0.000	1	114.5200	0.073	2	114.5200	0.073	2	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	114.3580	0.000	1	114.3580	0.000	1	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.0360	0.000	1	114.0360	0.000	1	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	113.1440	2.202	2	113.1440	4.848	2	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	114.8010	0.000	1	114.8010	0.000	1	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]N[3])	115.5175	0.086	2	115.5175	0.007	2	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.4090	0.443	2	114.4090	0.196	2	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	113.8250	0.873	2	113.8250	0.761	2	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[3]C[6a]C[3]N[3])	114.3310	0.000	1	113.7662	0.158	4	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]N[3])	113.5780	0.158	3	113.7662	0.158	4	114.1367	0.962	15	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3]C[6a]C[3]N[3])	114.5790	0.000	1	114.5790	0.000	1	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]N[3])	114.4570	0.000	1	114.4570	0.000	1	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	113.5350	0.000	1	113.5350	0.000	1	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.4970	0.177	2	114.4970	0.031	2	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	114.8400	0.316	3	114.8400	0.100	3	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[3]C[6a]C[3]N[3])	112.9790	0.000	1	112.9790	0.000	1	114.3404	0.450	9	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:3:1:	4:3:3:	4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3]Si[3,5]C[6a]N[3])	112.7057	0.213	3	112.7057	0.045	3	112.7057	0.045	3	114.5492	1.166	45	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.7390	0.000	1	114.7390	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.5100	0.000	1	114.5100	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.4915	0.599	2	113.4915	0.359	2	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.5160	0.000	1	114.5160	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3]C[6a]C[3]2)	112.5010	0.000	1	112.5010	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.4467	0.741	4	114.4467	0.550	4	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.1158	0.145	4	113.2778	0.147	5	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.9260	0.000	1	113.2778	0.147	5	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.6370	0.000	1	113.6370	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	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>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.3380	0.000	1	113.3380	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.2715	0.357	2	114.8200	0.450	4	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	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>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.2710	0.000	1	114.8200	0.450	4	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	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>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.4660	0.000	1	114.8200	0.450	4	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	115.1490	0.000	1	115.1490	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.5610	0.000	1	114.5610	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|N<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.6030	0.000	1	114.6030	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	112.9760	0.000	1	112.9760	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.5770	0.000	1	113.5770	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	111.9390	0.000	1	111.9390	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.0540	0.000	1	114.0540	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.0375	0.332	2	113.0375	0.110	2	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	111.1810	0.000	1	111.1810	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	112.7800	0.000	1	112.7800	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[3]C[6a]C[3]2)	113.0240	0.000	1	113.0240	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	112.9290	0.000	1	113.5483	0.308	3	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	H(C[3]C[6a]C[3]2)	113.8580	0.199	2	113.5483	0.308	3	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.2480	0.000	1	113.4795	18.109	13	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.2550	0.000	1	113.4795	18.109	13	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.3955	0.846	2	113.4795	18.109	13	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.4377	5.195	9	113.4795	18.109	13	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.2110	0.048	2	113.2110	0.002	2	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.9203	0.758	8	113.9203	0.575	8	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.6950	0.109	2	114.6950	0.012	2	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.7223	0.464	3	113.7223	0.216	3	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.3960	0.402	5	113.8540	1.026	17	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.6670	0.000	1	113.8540	1.026	17	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	113.6246	1.170	11	113.8540	1.026	17	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	113.9365	0.716	2	113.9365	0.513	2	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.7810	0.000	1	114.7810	0.000	1	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	115.1620	0.000	1	114.8333	0.089	3	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	H(C[3]C[6a]C[3]2)	114.6690	0.124	2	114.8333	0.089	3	113.7987	3.255	87	113.7987	3.255	87	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H)	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[3]C[3,6]2C[6a])	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]N[3])	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cu<4>,1|C<3>,5|H<1>}	H(C[3]C[6a]C[3]N[3])	114.9945	0.489	4	114.9945	0.239	4	114.9945	0.239	4	114.6254	0.860	5	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H)	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]P[3])	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2{1|Fe<8>,1|C<3>,1|C<4>,4|H<1>}	H(C[3]C[6a]C[3]P[3])	113.1490	0.000	1	113.1490	0.000	1	113.1490	0.000	1	114.6254	0.860	5	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[6a]C[3]2)	114.4985	0.254	2	114.4985	0.064	2	114.3765	0.240	4	114.3765	0.240	4	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	H(C[3]C[6a]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[3]C[6a]C[3]2)	114.2545	0.771	2	114.2545	0.595	2	114.3765	0.240	4	114.3765	0.240	4	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	3:4:3:	4:	C[3,6,6]-4:C[3,6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3]-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)	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H)	H(C[3]C[3,6,6]2C[6a])	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>}	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3]C[3,6,6]2C[6a])	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]B[3]C[3])	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[6a]B[3]C[3])	112.5558	0.709	8	112.5558	0.503	8	112.5558	0.503	8	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5,6]2C[6a])	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3]C[3,5,6]2C[6a])	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2	H(C[3]C[3,5,6]C[3,6]C[6a])	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,5,6]C[3,6]C[6a])	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.5973	0.563	4	114.3090	0.408	6	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3]C[3,5]2C[6a])	113.7325	0.305	2	114.3090	0.408	6	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3]C[3,5]2C[6a])	112.3855	0.940	2	112.3290	0.451	3	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[3]C[3,5]2C[6a])	112.2160	0.000	1	112.3290	0.451	3	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[3]C[3,5]2C[6a])	113.3170	0.134	2	113.1383	0.105	3	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[3]C[3,5]2C[6a])	112.7810	0.000	1	113.1383	0.105	3	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,5]2C[6a])	115.0720	0.000	1	115.0720	0.000	1	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H){2|H<1>,4|O<1>,6|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[3]C[3,5]2C[6a])	112.1640	0.000	1	112.1640	0.000	1	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.1950	0.000	1	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,5]2C[6a])	113.9100	0.016	2	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.9310	0.000	1	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,5]2C[6a])	115.1223	0.284	3	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[3]C[3,5]2C[6a])	114.3010	0.000	1	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.4850	0.000	1	114.5666	0.287	9	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.9200	0.634	2	114.9200	0.401	2	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,5]2C[6a])	115.4705	0.402	2	115.0141	0.147	7	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3]C[3,5]2C[6a])	114.8790	0.000	1	115.0141	0.147	7	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,5]2C[6a])	114.8197	0.213	4	115.0141	0.147	7	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3]C[3,5]2C[6a])	113.3695	0.527	2	113.3695	0.278	2	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[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[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[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){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,5]2C[6a])	113.4630	0.000	1	113.4630	0.000	1	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[3]C[3,5]2C[6a])	112.8240	0.000	1	112.8240	0.000	1	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	H(C[3]C[3,5]2C[6a])	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	H(C[3]C[3,5]2C[6a])	112.8470	0.000	1	112.8470	0.000	1	114.0920	1.055	37	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]C[3])	113.2530	0.000	1	113.2530	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3]C[3,5]C[6a]C[3])	112.4370	0.000	1	112.4370	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[3]C[3,5]C[6a]C[3])	111.3990	0.000	1	111.3990	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]C[3])	113.5030	0.000	1	113.5030	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	114.9650	0.455	3	114.9873	0.140	4	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	115.0540	0.000	1	114.9873	0.140	4	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[3,5]C[6a]C[3])	113.2920	0.000	1	113.2920	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[3]C[3,5]C[6a]C[3])	114.4240	0.000	1	114.3120	0.025	2	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[3]C[3,5]C[6a]C[3])	114.2000	0.000	1	114.3120	0.025	2	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	114.5550	0.000	1	114.5550	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]C[3])	112.4940	0.000	1	114.4970	5.370	3	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	H(C[3]C[3,5]C[6a]C[3])	115.4985	2.173	2	114.4970	5.370	3	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,5]C[6a]C[3])	113.1265	1.563	2	112.9833	0.583	9	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,5]C[6a]C[3])	112.9424	0.601	7	112.9833	0.583	9	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	114.1920	0.000	1	114.1920	0.000	1	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	113.5710	0.000	1	114.6942	0.651	4	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,5]C[6a]C[3])	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,5]C[6a]C[3])	115.0687	0.367	3	114.6942	0.651	4	113.8042	1.558	29	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	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[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3]C[3,6]2C[6a])	112.3945	1.535	2	112.3945	2.357	2	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	H(C[3]C[3,6]2C[6a])	115.9645	4.860	2	115.9645	23.619	2	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]2C[6a])	115.7430	0.000	1	115.0740	0.406	3	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]2C[6a])	114.4750	0.000	1	115.0740	0.406	3	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,6]2C[6a])	115.0040	0.000	1	115.0740	0.406	3	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	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[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,6]2C[6a])	113.1410	0.000	1	113.6705	0.561	2	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	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[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,6]2C[6a])	114.2000	0.000	1	113.6705	0.561	2	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,6]2C[6a])	113.7490	0.000	1	113.7490	0.000	1	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,6]2C[6a])	115.9060	0.000	1	115.9060	0.000	1	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	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[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	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>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3]C[3,6]2C[6a])	114.4790	0.697	2	114.4790	0.486	2	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	H(C[3]C[3,6]2C[6a])	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,6]2C[6a])	115.6460	0.000	1	115.6460	0.000	1	114.5386	3.630	14	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]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>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[3]C[3,6]C[6a]C[3])	119.1090	0.000	1	119.1090	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[3]C[3,6]C[6a]C[3])	112.6940	0.000	1	112.2455	0.402	2	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[3]C[3,6]C[6a]C[3])	111.7970	0.000	1	112.2455	0.402	2	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,6]C[6a]C[3])	113.6560	0.000	1	113.3953	0.634	6	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3]C[3,6]C[6a]C[3])	112.1450	0.000	1	113.3953	0.634	6	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,6]C[6a]C[3])	112.8110	0.000	1	113.3953	0.634	6	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,6]C[6a]C[3])	113.9200	0.430	3	113.3953	0.634	6	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	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>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	113.6050	0.000	1	113.5777	0.160	3	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	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>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	113.1650	0.000	1	113.5777	0.160	3	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	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>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	113.9630	0.000	1	113.5777	0.160	3	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	82.5477	0.000	1	82.5477	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	113.4990	0.000	1	113.4990	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	112.3680	0.000	1	112.3680	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[3]C[3,6]C[6a]C[3])	113.9390	0.383	2	113.9390	0.147	2	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	113.8070	0.000	1	113.8070	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3]C[3,6]C[6a]C[3])	112.9110	0.000	1	112.9110	0.000	1	111.9850	53.071	19	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	H(C[3]C[3,6]C[6a]C[3])	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[3]C[3,6]C[6a]C[3])	110.7998	0.481	4	110.7998	0.231	4	110.7998	0.231	4	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3]-4:N[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	H(C[3]C[6a]C[3]N[3])	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[3]C[6a]C[3]N[3])	113.9390	0.812	8	113.9390	0.659	8	113.9390	0.659	8	113.5398	10.103	121	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	5:3:3:1:	4:3:3:	4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[3]Si[3,4]C[6a]N[3])	111.8700	0.000	1	111.8700	0.000	1	113.0010	2.558	2	113.0010	2.558	2	114.3312	3.895	554	114.4183	4.579	609
486	643	951	0:SP3_SP-NON_SP2	C[3]	C[6a]	H	5:3:3:1:	4:3:3:	4:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3: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)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)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>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	H(C[3]Si[3,4]C[6a]N[3])	114.1320	0.000	1	114.1320	0.000	1	113.0010	2.558	2	113.0010	2.558	2	114.3312	3.895	554	114.4183	4.579	609
486	643	955	0:SP3_SP2_SP3	C[3,5,5]	C[6a]	P[5,5]	4:4:4:3:	4:3:3:	4:3:3:1:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:C[5]-3:Se-1:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2{1|Se<1>,3|H<1>,6|C<3>}	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se){3|H<1>,7|C<3>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1
486	643	956	0:SP3_SP2_SP2	C[3]	C[6a]	N	4:3:2:3:	4:3:3:	4:1:1:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2	N(C[3]C[6a]C[3]O[3])(O)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	N(C[3]C[6a]C[3]O[3])(O)2	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1
486	643	956	0:SP3_SP2_SP3	C[3]	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:S-4:H-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	N(C[3]C[6a]C[3]2)(SO3)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){1|C<3>,2|C<4>,4|H<1>}	N(C[3]C[6a]C[3]2)(SO3)(H)	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1
486	643	962	0:SP3_SP2_SP2	C[3,6]	C[6,6a]	O[3]	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	O[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){1|N<3>,1|O<1>,4|C<3>}	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1
486	643	962	0:SP3_SP2_SP3	C[3,3]	C[6a]	O[3]	7:3:3:2:	4:3:3:	4:7:	Nb[3,3]-7:N[3]-3:C[6a]-3:O[3]-2:	C[3,3]-4:C[6a]-3: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])	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)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>}	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,3|N<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>}	117.7160	0.000	2	117.7160	0.000	2	117.7160	0.000	2	117.7160	0.000	2	117.1448	0.515	4	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,3]	C[6a]	O[3]	9:3:3:2:	4:3:3:	9:4:	Nb[5x3]-9:N[3]-3:C[6a]-3:O[3]-2:	C[3,3]-4:C[6a]-3: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])	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)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>}	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|N<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>}	116.5735	0.490	2	116.5735	0.240	2	116.5735	0.240	2	116.5735	0.240	2	117.1448	0.515	4	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5,6]	C[6,6a]	O[3]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H){1|H<1>,2|C<4>,4|C<3>}	115.2690	0.143	2	115.2690	0.020	2	115.2690	0.020	2	115.2690	0.020	2	115.6360	1.999	4	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5,6]	C[6,6a]	O[3]	4:3:3:2:	4:3:3:	4:4:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6]){1|O<1>,2|C<4>,5|C<3>}	117.6520	0.000	1	117.6520	0.000	1	117.6520	0.000	1	117.6520	0.000	1	115.6360	1.999	4	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5,6]	C[6,6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a])	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a]){4|C<4>,5|C<3>}	114.3540	0.000	1	114.3540	0.000	1	114.3540	0.000	1	114.3540	0.000	1	115.6360	1.999	4	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	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])	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	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>}	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|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>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:3:2:2:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	116.7990	0.000	1	116.7990	0.000	1	116.1370	0.876	2	116.1370	0.876	2	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	115.4750	0.000	1	115.4750	0.000	1	116.1370	0.876	2	116.1370	0.876	2	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:4:2:3:	4:3:3:	4:4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a]){4|C<4>,5|C<3>}	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	115.9700	3.811	3	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H){6|C<3>}	114.8690	0.000	1	114.8690	0.000	1	116.5465	5.628	2	115.9700	3.811	3	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C){1|C<4>,3|C<3>,3|O<2>}	118.2240	0.000	1	118.2240	0.000	1	116.5465	5.628	2	115.9700	3.811	3	116.2177	1.718	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:3:2:1:	4:3:3:	4:3:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	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>}	117.9880	1.085	2	117.9880	1.177	2	117.9880	1.177	2	117.9880	1.177	2	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:3:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH){1|O<2>,3|C<3>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H){1|C<4>,1|H<1>,3|C<3>}	114.3580	0.000	1	114.3580	0.000	1	116.7060	4.328	3	116.7060	4.328	3	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,2|C<3>}	117.8800	0.621	2	117.8800	0.385	2	116.7060	4.328	3	116.7060	4.328	3	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:	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[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]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){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	118.1270	3.200	2	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	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>}	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>}	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>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	118.1270	3.200	2	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6,6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,3x6]-4:C[3,6]-4:	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[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H)	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>}	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	116.8249	3.921	9	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]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){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]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[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:4:2:3:	4:3:3:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	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[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	118.1650	0.000	1	118.1650	0.000	1	116.2960	2.831	3	116.2960	2.831	3	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:4:2:3:	4:3:3:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	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[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	115.3615	0.650	2	115.3615	0.422	2	116.2960	2.831	3	116.2960	2.831	3	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]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]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	113.5465	8.116	2	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3,6]	C[6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:	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[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[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[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	113.5465	8.116	2	115.4473	5.098	7	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:3:2:1:	3:4:3:	4:3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	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)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H)	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>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){2|C<3>}	116.9343	0.176	3	116.9343	0.031	3	116.9343	0.031	3	116.9343	0.031	3	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:3:2:1:	4:3:2:	4:3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:N[6a]-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)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){1|C<3>,1|N<2>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:3:3:2:	4:3:2:	4:3:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-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])	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]2N[3])(N[3]C[3]C){2|C<3>,2|N<2>}	115.6365	0.677	4	115.6365	0.459	4	115.6365	0.459	4	115.6365	0.459	4	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:3:4:2:	4:3:2:	4:4:	C[6a]-3:C[6a]-3:P[3]-4:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:P[3]-4:	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3])	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	O[3](C[3]C[6a]2P[3])(P[3]C[3]CrC)	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3]){2|H<1>,4|C<3>}	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]2P[3])(P[3]C[3]CrC){2|C<3>,2|N<2>}	113.9555	0.281	2	113.9555	0.079	2	113.9555	0.079	2	113.9555	0.079	2	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:3:4:2:	4:3:3:	4:4:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:C[6a]-3: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])	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2	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>}	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>}	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<3>}	116.3860	0.000	1	116.3860	0.000	1	116.3860	0.000	1	116.5976	0.378	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	116.5976	0.378	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	116.6910	0.000	1	116.6910	0.000	1	116.4678	0.350	5	116.5976	0.378	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.7105	0.834	2	116.7105	0.695	2	116.4678	0.350	5	116.5976	0.378	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.1135	0.534	2	116.1135	0.285	2	116.4678	0.350	5	116.5976	0.378	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	117.5630	0.000	1	117.1732	0.552	5	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	117.6390	0.000	1	117.1732	0.552	5	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	115.8570	0.000	1	117.1732	0.552	5	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	117.4035	0.025	2	117.1732	0.552	5	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.2430	0.000	1	117.2430	0.000	1	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.2990	0.000	1	116.2990	0.000	1	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.0070	0.000	1	117.0070	0.000	1	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.7630	0.000	1	116.7630	0.000	1	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	115.4020	0.000	1	115.4020	0.000	1	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.6710	0.550	2	117.0162	0.717	4	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.3615	0.364	2	117.0162	0.717	4	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.5540	0.000	1	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.5681	0.706	8	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.7695	0.070	2	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.3080	0.000	1	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.1300	2.120	2	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.4187	0.464	6	117.4359	0.574	20	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	118.3610	0.000	1	118.5635	0.082	2	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	118.7660	0.000	1	118.5635	0.082	2	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	118.0030	0.882	2	118.1425	0.291	4	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	118.2820	0.130	2	118.1425	0.291	4	117.3765	0.712	40	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-4:	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]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>}	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>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	118.2420	0.693	2	118.2420	0.480	2	118.2420	0.480	2	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW)	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW){2|C<3>}	118.1480	0.163	2	118.1480	0.026	2	116.6112	1.453	6	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW)	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|F<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW){2|C<3>}	115.8070	0.000	1	115.9380	0.023	3	116.6112	1.453	6	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW)	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|F<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW){2|C<3>}	116.0035	0.139	2	115.9380	0.023	3	116.6112	1.453	6	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:P[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW)	C[3](C[6a]C[6a]2)(P[3]O[3]CW)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CW){2|C<3>}	115.5570	0.000	1	115.5570	0.000	1	116.6112	1.453	6	117.3169	0.859	48	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:3:	4:3:2:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	O[3](C[3]C[6a]C[3]C)2	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]C)2{1|N<2>,3|C<3>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:3:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	116.1780	0.730	2	116.1780	0.533	2	116.1780	0.533	2	116.1780	0.533	2	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	115.7460	0.000	1	115.7460	0.000	1	114.9435	2.780	10	114.9435	2.780	10	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	113.8390	0.965	4	113.8390	0.931	4	114.9435	2.780	10	114.9435	2.780	10	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	115.4045	2.059	4	115.4045	4.238	4	114.9435	2.780	10	114.9435	2.780	10	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	116.7150	0.000	1	116.7150	0.000	1	114.9435	2.780	10	114.9435	2.780	10	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	3:4:4:2:	4:3:3:	4:4:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<2>,4|C<3>}	118.8035	0.240	2	118.8035	0.057	2	118.5363	0.243	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<1>,4|C<3>}	118.0020	0.000	1	118.0020	0.000	1	118.5363	0.243	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,3|C<3>}	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.3450	1.096	2	116.9600	1.735	3	116.9600	1.735	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	118.1900	0.000	1	116.9600	1.735	3	116.9600	1.735	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	118.5607	0.214	3	118.5607	0.046	3	118.5607	0.046	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)	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>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.4350	0.000	1	116.4350	0.000	1	118.0140	2.948	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2){6|C<3>}	118.8035	1.469	2	118.8035	2.157	2	118.0140	2.948	3	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H)	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|H<1>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H){1|N<4>,2|C<3>,2|O<2>}	117.1950	0.000	1	117.1950	0.000	1	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	116.8900	1.867	2	117.9387	2.641	4	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	118.9875	0.199	2	117.9387	2.641	4	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	O[3](C[3]C[6a]C[3]H)2{4|C<3>}	115.5130	0.175	2	115.6312	0.259	4	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)2{4|C<3>}	115.7495	0.831	2	115.6312	0.259	4	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	119.3380	0.000	1	119.3380	0.000	1	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	118.8550	0.000	1	118.0140	0.830	3	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	117.5935	0.774	2	118.0140	0.830	3	117.2965	2.402	13	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]Cr)	C[3](P[3]C[5]O[3]Cr)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]Cr){1|C<4>,4|C<3>}	116.0310	0.000	1	116.0310	0.000	1	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]Mo)	C[3](P[3]C[5]O[3]Mo)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]Mo){1|C<4>,4|C<3>}	116.3120	0.000	1	116.3120	0.000	1	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]W)	C[3](P[3]C[5]O[3]W)(C[6a]C[6a]2)(O[3]P[3])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]C[5]W){1|C<4>,4|C<3>}	116.1890	0.000	1	116.1890	0.000	1	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CrC)	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|C<4>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]C)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CrC){2|C<3>}	117.7580	0.724	2	117.7580	0.524	2	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CrC)	C[3](P[3]O[3]CrC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]CrC){2|C<3>}	116.8025	1.129	2	116.8025	1.275	2	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	P[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3]-4:	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H)	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2	O[3](C[3]C[6a]P[3]H)(P[3]C[3]MoC)	C[3](P[3]O[3]MoC)(C[6a]C[6a]2)(O[3]P[3])(H){2|C<3>,2|H<1>}	C[6a](C[3]O[3]P[3]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	O[3](C[3]C[6a]P[3]H)(P[3]C[3]MoC){2|C<3>}	116.8205	1.060	2	116.8205	1.124	2	116.8104	0.745	9	117.4224	1.746	34	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]C)2{1|N<2>,3|C<3>}	117.4370	0.000	1	117.4370	0.000	1	116.8497	0.272	3	117.7507	3.429	4	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.8497	0.272	3	117.7507	3.429	4	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	116.6700	0.000	1	116.6700	0.000	1	116.8497	0.272	3	117.7507	3.429	4	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:3:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	117.7507	3.429	4	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	116.1650	0.000	1	116.1650	0.000	1	114.5652	1.109	6	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	113.7720	1.034	2	113.7720	1.069	2	114.5652	1.109	6	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	115.1990	0.000	1	115.1990	0.000	1	114.5652	1.109	6	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	114.3950	0.000	1	114.3950	0.000	1	114.5652	1.109	6	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:2:4:	4:3:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	114.0880	0.000	1	114.0880	0.000	1	114.5652	1.109	6	114.4674	0.991	7	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:3:2:	4:3:2:	4:4:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3]-4:C[3,6]-4:	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[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]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]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:3:2:	4:3:3:	4:4:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:	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[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]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]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	113.8306	3.021	5	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:3:2:	4:3:3:	4:4:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	O[3](C[3]C[6a]2C[3])2	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	O[3](C[3]C[6a]2C[3])2{8|C<3>}	113.1153	0.785	4	113.1153	0.616	4	113.1153	0.616	4	113.8306	3.021	5	116.6261	2.706	132	116.5533	2.765	165
486	643	962	0:SP3_SP2_SP3	C[3]	C[6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3]-4:	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH)	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH){2|C<3>,3|C<4>}	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	116.6261	2.706	132	116.5533	2.765	165
486	643	976	0:SP3_SP2_SP2	C[3,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	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])	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O){3|C<3>,3|H<1>}	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1
486	643	976	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH){2|C<3>,3|C<4>}	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.1120	0.196	2	110.1120	0.196	2
486	643	976	0:SP3_SP2_SP3	C[3,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	110.1120	0.196	2	110.1120	0.196	2
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	3:3:2:2:	4:3:3:	4:1:	C[3]-3:C[6a]-3:N[3]-2:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-1:	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]N[3])(N)	C[3](C[3]C[6a]N[3])(C[6a]C[6a]2)(N[3]C[3])(CN){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]N[3])(N)	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.1935	0.163	2	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	3:3:2:2:	4:3:3:	4:1:	C[6a]-3:C[3]-3:N[3]-2:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-1:	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C(C[3]C[6a]C[3]N[3])(N)	C[3](C[6a]C[6a]2)(C[3]N[3]C)(N[3]C[3])(CN){2|C<3>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[6a]C[3]N[3])(N)	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	117.1935	0.163	2	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[3]-3:C[3]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)(CN){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C(C[3]C[6a]C[3]2)(N)	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	3:4:4:2:	2:3:4:	4:2:	C[6a]-3:C[3]-4:C[3]-4:C-2:	N[6a]-2:C[6a]-3:C[3]-4:	C[3]-4:C-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(CC[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	C(C[3]C[6a]C[3]2)(CC[6a])	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C-2:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(CC[5a])	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C){2|H<1>,3|C<3>,4|C<4>}	C(C[3]C[6a]C[3]2)(CC[5a])	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,3|C<3>,3|H<1>}	C(C[3]C[6a]C[3]2)(N)	112.7550	0.000	1	112.7550	0.000	1	113.1615	0.330	2	113.1615	0.330	2	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	C(C[3]C[6a]C[3]2)(N)	113.5680	0.000	1	113.5680	0.000	1	113.1615	0.330	2	113.1615	0.330	2	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	4:4:3:2:	4:3:3:	4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-1:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C(C[3]C[3,5,6,6]2C[6a])(N)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[3]C[3,5,6,6]2C[6a])(N)	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.7175	0.758	2	114.6804	5.310	9	114.6804	5.310	9
486	643	983	0:SP3_SP1_SP2	C[3]	C[6a]	C	4:4:3:2:	4:3:3:	4:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C(C[3]C[3,6]2C[6a])(N)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN){4|C<3>,4|H<1>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C(C[3]C[3,6]2C[6a])(N)	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	114.7175	0.758	2	114.6804	5.310	9	114.6804	5.310	9
486	643	992	0:SP3_SP2_SP3	C[3]	C[6a]	P	3:4:4:4:	3:3:4:	4:3:3:2:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:N-2:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	117.2865	1.572	2	117.2865	1.572	2
486	643	992	0:SP3_SP2_SP3	C[3]	C[6a]	P	3:4:4:4:	3:3:4:	4:3:3:4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:B-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(BH3)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(BH3)	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	117.2865	1.572	2	117.2865	1.572	2
486	654	818	5:SP3_SP2_SP3	C[3,5]	B[3,5]	C[5]	4:5:3:1:	5:4:3:4:	4:4:3:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	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[3,5](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[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[3,5](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>}	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>}	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1
486	654	818	6:SP3_SP2_SP3	C[3,5,6]	B[3,3,6]	C[5,6]	4:4:3:4:	4:4:4:3:	4:3:3:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1
486	654	865	3:SP3_SP3_SP3	C[3,3,6]	B[3,3,6]	P[3x3,5]	4:4:4:3:	4:4:4:3:	4:4:4:4:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	74.3214	0.000	1	74.3214	0.000	1	74.3214	0.000	1	74.3214	0.000	1	74.3214	0.000	1	74.4887	0.056	2
486	654	865	3:SP3_SP3_SP3	C[3,5,6]	B[3,3,6]	P[3x3,5]	4:4:3:4:	4:4:4:3:	4:4:4:4:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	74.6561	0.000	1	74.6561	0.000	1	74.6561	0.000	1	74.6561	0.000	1	74.6561	0.000	1	74.4887	0.056	2
486	654	880	0:SP3_SP3_SP3	C[3,3,5]	B[3,3,5]	Si	5:6:4:4:	6:4:4:1:	4:4:4:4:	B[3,3,5]-5:B[5x3]-6:B[3,3,5]-4:Si-4:	B[5x3]-6:C[3,3,5]-4:C[3,3,5]-4:H-1:	C[3,3,5]-4:C-4:C-4:C-4:	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3)	B[3,3,5](B[5x3]B[3,3,5]2C[3,3,5]2H)(C[3,3,5]B[3,3,5]B[5x3]Si)2(H)	Si(C[3,3,5]B[3,3,5]2B[5x3])(CH3)3	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3){1|Si<4>,1|H<2>}	B[3,3,5](B[5x3]B[3,3,5]2C[3,3,5]2H)(C[3,3,5]B[3,3,5]B[5x3]Si)2(H){1|Dy<16>,2|H<2>}	Si(C[3,3,5]B[3,3,5]2B[5x3])(CH3)3	122.0280	1.735	2	122.0280	3.011	2	122.0280	3.011	2	122.0280	3.011	2	122.0280	3.011	2	122.0280	3.011	2
486	654	930	0:SP3_SP2_SP3	C[3]	B[3]	C	4:4:3:1:	4:4:3:1:	4:2:1:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:O-2:O-1:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C(C[3]B[3]C[3]H)(OC)(O)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){2|C<3>,2|C<4>}	C(C[3]B[3]C[3]H)(OC)(O)	119.4230	2.745	2	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8
486	654	930	0:SP3_SP2_SP3	C[3]	B[3]	C	4:4:3:1:	4:4:3:1:	4:2:1:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:O-2:O-1:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C(C[3]B[3]C[3]H)(OC)(O)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){4|C<3>}	C(C[3]B[3]C[3]H)(OC)(O)	121.2745	2.622	6	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8	120.8116	6.722	8
486	654	951	0:SP3_SP-NON_SP3	C[3,5]	B[3,5]	H	4:5:3:1:	5:4:3:4:	4:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	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[3,5](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)	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[3,5](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>}	H(C[3,5]B[3,5]B[3]C[5])	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3,5]	H	4:3:3:1:	4:4:3:3:	4:	B[3,5]-4:O[3,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[3]-4:O[3,5]-3:C[6a]-3:	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)	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)	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>}	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>}	H(C[3]B[3,5]O[3,5]C[6a])	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3]	H	4:4:1:1:	3:3:4:4:	4:	B[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP)	H(C[3]B[3]C[3]H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2{4|C<3>}	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP){4|C<3>,4|F<1>}	H(C[3]B[3]C[3]H)	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	115.4436	5.454	16	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3]	H	4:4:3:1:	4:4:3:1:	4:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	H(C[3]B[3]C[3]C)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){2|C<3>,2|C<4>}	H(C[3]B[3]C[3]C)	118.8380	0.168	2	116.7090	4.946	8	116.7090	4.946	8	116.7090	4.946	8	115.4436	5.454	16	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3]	H	4:4:3:1:	4:4:3:1:	4:	B[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	H(C[3]B[3]C[3]C)	C[3](B[3]C[3]C[5]H)(C[3]B[3]CH)(COO)(H){2|N<3>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){4|C<3>}	H(C[3]B[3]C[3]C)	115.9993	2.122	6	116.7090	4.946	8	116.7090	4.946	8	116.7090	4.946	8	115.4436	5.454	16	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3]	H	4:4:3:1:	4:4:3:3:	4:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3]-4:	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	H(C[3]C[6a]B[3]C[3])	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	H(C[3]C[6a]B[3]C[3])	114.0065	1.275	6	114.0065	1.625	6	114.0065	1.625	6	114.0065	1.625	6	115.4436	5.454	16	115.4896	5.326	18
486	654	951	0:SP3_SP-NON_SP3	C[3]	B[3]	H	4:4:4:1:	3:3:4:4:	4:	B[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP)	H(C[3]B[3]C[3]P)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP){4|C<3>,4|F<1>}	H(C[3]B[3]C[3]P)	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	115.4436	5.454	16	115.4896	5.326	18
486	654	992	0:SP3_SP3_SP3	C[3]	B[3]	P	4:4:4:1:	3:3:4:4:	4:3:3:1:	B[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP)	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	B[3](C[6a]C[6a]2)2(C[3]C[3]HH)(C[3]C[3]HP){4|C<3>,4|F<1>}	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	129.4780	0.000	1	129.4780	0.000	1	129.4780	0.000	1	129.4780	0.000	1	129.4780	0.000	1	129.4780	0.000	1
486	682	818	0:SP3_SP-NON_SP2	C[3,5]	Ga[3]	C[5]	4:3:3:4:	4:4:4:	4:3:4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	77.1213	3.046	2	77.1213	9.280	2	77.1213	9.280	2	77.1213	9.280	2	77.1213	9.280	2	77.1213	9.280	2
486	706	727	0:SP3_SP2_SP3	C[3,5]	S[3]	C[5,6a]	3:4:4:2:	4:4:	3:4:3:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[3,5]-4:C[3,6]-4:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1
486	706	893	0:SP3_SP3_SP3	C[3]	S[3]	O	4:2:2:2:	4:4:	4:4:	C[3,6,6]-4:S[3]-2:O-2:O-2:	C[3,6,6]-4:C[3]-4:	C[3]-4:C-4:	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)	O(C[3]C[3,6,6]S[3]O)(CH3)	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2{2|H<1>,4|C<4>}	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO){2|H<1>,4|C<4>}	O(C[3]C[3,6,6]S[3]O)(CH3)	117.6970	1.033	6	117.6970	1.068	6	117.6970	1.068	6	117.6970	1.068	6	117.6970	1.068	6	117.6970	1.068	6
486	706	930	0:SP3_SP2_SP3	C[3]	S[3]	C	3:4:2:3:	4:4:	4:3:1:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:C[3]-4:	C[3]-4:N-3:O-1:	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	117.6200	7.129	2	117.6200	7.129	2
486	706	930	0:SP3_SP2_SP3	C[3]	S[3]	C	4:3:2:3:	4:4:	4:3:1:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[3]-4:	C[3]-4:N[5]-3:O-1:	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C(C[3]C[6a]C[3]S[3])(N[5]C[5,5]C[5])(O)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C(C[3]C[6a]C[3]S[3])(N[5]C[5,5]C[5])(O)	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	117.6200	7.129	2	117.6200	7.129	2
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:1:1:	4:4:	4:	C[3]-4:S[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	H(C[3]C[3]S[3]H)	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2{1|O<2>,2|C<4>}	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	H(C[3]C[3]S[3]H)	117.1125	0.005	2	117.1125	0.000	2	117.1342	0.007	12	117.1342	0.007	12	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:1:1:	4:4:	4:	C[3]-4:S[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]S[3]H)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]S[3]H)	117.1386	0.090	10	117.1386	0.008	10	117.1342	0.007	12	117.1342	0.007	12	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:4:1:	4:4:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	H(C[3]C[3]S[3]C)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	H(C[3]C[3]S[3]C)	114.1680	0.000	1	114.1680	0.000	1	114.9907	0.605	10	114.9907	0.605	10	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:4:1:	4:4:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	S[3](C[3]C[3]CH)2	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	S[3](C[3]C[3]CH)2	H(C[3]C[3]S[3]C)	114.2010	0.000	2	114.2010	0.000	2	114.9907	0.605	10	114.9907	0.605	10	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:4:1:	4:4:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	S[3](C[3]C[3]CH)2	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	S[3](C[3]C[3]CH)2	H(C[3]C[3]S[3]C)	114.3980	0.000	2	114.3980	0.000	2	114.9907	0.605	10	114.9907	0.605	10	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:2:4:1:	4:4:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S[3](C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S[3](C[3]C[3]CH)(C[3]C[3]HH)	H(C[3]C[3]S[3]C)	115.7082	0.246	5	115.7082	0.060	5	114.9907	0.605	10	114.9907	0.605	10	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:3:2:1:	4:4:	4:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	H(C[3]C[6a]C[3]S[3])	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	H(C[3]C[6a]C[3]S[3])	84.8462	0.000	1	84.8462	0.000	1	84.8462	0.000	1	84.8462	0.000	1	114.6936	42.373	24	114.6936	42.373	24
486	706	951	0:SP3_SP-NON_SP3	C[3]	S[3]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[3]-4:S[3]-2:H-1:	C[3]-4:C[3]-4:	C[3]-4:	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H)	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	H(C[3]C[3]C[5]S[3])	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H){2|H<1>,4|C<4>}	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	H(C[3]C[3]C[5]S[3])	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	114.6936	42.373	24	114.6936	42.373	24
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,8|C<3>}	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	106.4400	0.000	1	106.4400	0.000	1	106.4400	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	104.9725	0.042	2	104.9725	0.002	2	105.1929	0.231	7	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	105.9510	0.000	1	105.9510	0.000	1	105.1929	0.231	7	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	105.1135	0.478	4	105.1135	0.229	4	105.1929	0.231	7	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	104.9715	0.240	2	104.9715	0.057	2	104.9182	0.033	5	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	104.8827	0.180	3	104.8827	0.032	3	104.9182	0.033	5	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	105.4585	0.196	4	105.4585	0.038	4	105.1533	0.091	12	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	105.0007	0.217	8	105.0007	0.047	8	105.1533	0.091	12	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,9|C<3>}	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	104.8010	0.000	1	104.8010	0.000	1	104.8010	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	105.1735	0.177	30	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	105.5620	0.016	2	105.5620	0.000	2	105.5620	0.000	2	105.5620	0.000	2	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	105.1101	0.404	12	105.1101	0.163	12	105.1452	0.151	14	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	105.3560	0.249	2	105.3560	0.062	2	105.1452	0.151	14	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,8|C<3>}	104.0180	0.000	1	104.0180	0.000	1	104.0180	0.000	1	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){2|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	104.1100	0.000	1	104.1100	0.000	1	104.1100	0.000	1	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	105.3775	0.124	2	105.3775	0.015	2	105.3775	0.015	2	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	103.4940	0.455	2	103.4940	0.207	2	103.4940	0.207	2	104.8952	0.465	20	105.1035	0.321	53	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	105.3130	0.062	2	105.3130	0.004	2	104.8178	0.100	10	104.8178	0.100	10	104.8178	0.100	10	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	104.5720	0.362	2	104.5720	0.131	2	104.8178	0.100	10	104.8178	0.100	10	104.8178	0.100	10	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	104.4830	0.000	1	104.6990	0.019	5	104.8178	0.100	10	104.8178	0.100	10	104.8178	0.100	10	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	104.7530	0.078	4	104.6990	0.019	5	104.8178	0.100	10	104.8178	0.100	10	104.8178	0.100	10	105.0581	0.295	63
486	727	727	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	104.9130	0.000	1	104.9130	0.000	1	104.8178	0.100	10	104.8178	0.100	10	104.8178	0.100	10	105.0581	0.295	63
486	727	778	6:SP3_SP2_SPD5	C[3,6]	C[5a,6]	C[3,6]	3:5:2:3:	3:3:4:	4:4:2:1:1:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[3,6]-4:C[6]-4:H[3]-2:H-1:H-1:	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2{2|C<3>,2|S<2>}	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1
486	727	818	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	105.4530	0.018	2	105.4530	0.000	2	105.4530	0.000	2	105.4530	0.000	2	105.3217	0.027	4	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	105.1905	0.114	2	105.1905	0.013	2	105.1905	0.013	2	105.1905	0.013	2	105.3217	0.027	4	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5,6]	C[5,6,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	104.3870	0.000	1	104.3870	0.000	1	104.3870	0.000	1	104.4635	0.012	2	104.4635	0.012	2	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5,6]	C[5,6,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[3,5,6]-4:N[5]-3:O-1:	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	104.4635	0.012	2	104.4635	0.012	2	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5,6]	C[5,6a]	C[5,6]	3:4:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:N[6]-3:N[5]-2:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a])	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a]){2|H<1>,5|C<3>}	102.1170	0.000	1	102.1170	0.000	1	102.1170	0.000	1	102.1170	0.000	1	102.1170	0.000	1	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	105.4450	0.000	1	105.4450	0.000	1	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	105.6105	0.514	2	105.2466	0.332	7	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	104.7553	0.466	3	105.2466	0.332	7	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	105.6195	0.163	2	105.2466	0.332	7	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	105.3000	0.000	1	105.3000	0.000	1	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>}	105.3540	0.000	1	105.3540	0.000	1	105.2825	0.226	10	105.2825	0.226	10	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	105.6445	0.078	2	105.6445	0.006	2	105.6210	0.005	3	105.6210	0.005	3	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|S<3>,2|C<3>,2|H<1>}	105.5740	0.000	1	105.5740	0.000	1	105.6210	0.005	3	105.6210	0.005	3	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	3:4:1:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O){2|Br<1>,2|H<1>,4|C<3>}	105.4530	0.242	2	105.4530	0.058	2	105.4530	0.058	2	105.4530	0.058	2	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>}	104.5560	0.000	1	104.5560	0.000	1	104.5560	0.000	1	104.5560	0.000	1	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	104.4390	0.000	1	104.4390	0.000	1	104.4390	0.000	1	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	105.4170	0.000	1	105.4357	0.133	3	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	105.4450	0.515	2	105.4357	0.133	3	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	104.9870	0.000	1	104.9870	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){2|H<1>,4|C<3>}	105.4820	0.000	1	105.4820	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	105.2510	0.000	1	105.2510	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	105.6050	0.000	1	105.3662	0.025	5	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	105.3065	0.096	4	105.3662	0.025	5	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	105.9210	0.000	1	105.9210	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	103.4050	0.068	2	103.4050	0.005	2	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O){4|C<3>,4|H<1>}	106.3110	0.000	1	106.3110	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|C<3>,4|H<1>}	105.2590	0.000	1	105.2590	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	104.8050	0.000	1	104.8050	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	105.9930	0.000	1	105.9930	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	106.5550	0.000	1	106.5550	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|Br<1>,1|H<1>,3|C<3>}	105.6170	0.000	1	105.6170	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	105.7120	0.000	1	105.8015	0.169	6	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	105.3915	0.189	2	105.8015	0.169	6	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	106.2410	0.000	1	105.8015	0.169	6	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	106.0365	0.402	2	105.8015	0.169	6	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	105.3400	0.000	1	105.3995	0.007	2	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	105.4590	0.000	1	105.3995	0.007	2	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	105.2790	0.000	1	105.2790	0.000	1	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	105.6407	0.192	3	105.9705	0.460	4	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	106.9600	0.000	1	105.9705	0.460	4	105.4818	0.501	33	105.4511	0.518	34	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS){2|C<3>,4|H<1>}	104.9850	0.000	1	104.9850	0.000	1	104.9815	0.000	2	104.9815	0.000	2	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	104.9780	0.000	1	104.9780	0.000	1	104.9815	0.000	2	104.9815	0.000	2	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[3,5]-4:C[5]-3: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)	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H)	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>}	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	104.0185	0.288	2	104.0185	0.083	2	104.0185	0.083	2	104.0185	0.083	2	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	105.0080	0.000	1	105.0080	0.000	1	105.0080	0.000	1	104.7620	0.091	5	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	104.3190	0.000	1	104.3190	0.000	1	104.6310	0.195	2	104.7620	0.091	5	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,4|C<3>}	104.9430	0.000	1	104.9430	0.000	1	104.6310	0.195	2	104.7620	0.091	5	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	104.9630	0.000	1	104.9630	0.000	1	104.9630	0.000	1	104.7620	0.091	5	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	104.5770	0.000	1	104.5770	0.000	1	104.5770	0.000	1	104.7620	0.091	5	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	106.2115	0.412	2	106.2115	0.170	2	106.2115	0.170	2	105.4758	0.778	4	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	104.7480	0.000	1	104.7400	0.000	2	104.7400	0.000	2	105.4758	0.778	4	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	104.7320	0.000	1	104.7400	0.000	2	104.7400	0.000	2	105.4758	0.778	4	105.3154	0.463	64	105.2467	0.580	71
486	727	818	5:SP3_SP2_SP2	C[3,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N[5]-3:N-2:	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	105.3154	0.463	64	105.2467	0.580	71
486	727	893	0:SP3_SP2_SP3	C[3]	C[5a]	O	3:4:4:2:	3:4:2:	4:4:	C[5a]-3:C[3]-4:C[3]-4:O-2:	C[5a]-3:C[3]-4:S[5a]-2:	C[3]-4:C-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC)	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a])	O(C[3]C[5a]C[3]2)(CH3)	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[3]C[5a]C[3]2)(CH3)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,5a]	C	3:4:4:3:	3:4:3:	4:2:1:	C[5,5a]-3:C[3,5]-4:C[3]-4:C-3:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C(C[3,5]C[5,5a]C[3,5]C[3])(OC)(O)	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	C(C[3,5]C[5,5a]C[3,5]C[3])(OC)(O)	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	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)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	119.3825	1.466	2	119.3825	2.149	2	119.9370	1.997	3	119.9370	1.997	3	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	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)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	121.0460	0.000	1	121.0460	0.000	1	119.9370	1.997	3	119.9370	1.997	3	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,3x5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C(C[3,5]C[3,3x5]C[5,6a]C[3,5])(OC)(O)	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	124.2710	0.000	1	124.2710	0.000	1	124.2710	0.000	1	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	119.5730	0.000	1	119.5730	0.000	1	121.1085	4.716	2	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	122.6440	0.000	1	122.6440	0.000	1	121.1085	4.716	2	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	119.8260	0.000	1	119.8260	0.000	1	119.9330	0.023	2	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:O-2:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	120.0400	0.000	1	120.0400	0.000	1	119.9330	0.023	2	120.7437	5.142	6	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	120.0350	0.000	1	118.3677	7.622	3	118.3677	7.622	3	118.1797	5.222	4	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	119.8870	0.000	1	118.3677	7.622	3	118.3677	7.622	3	118.1797	5.222	4	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)	115.1810	0.000	1	118.3677	7.622	3	118.3677	7.622	3	118.1797	5.222	4	119.7686	5.105	13	119.8520	4.809	14
486	727	930	0:SP3_SP2_SP2	C[3,5]	C[5,6a]	C	4:4:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:N-3:O-1:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(NCC)(O)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(NCC)(O)	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	118.1797	5.222	4	119.7686	5.105	13	119.8520	4.809	14
486	727	945	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	P	4:4:3:3:	4:3:3:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	124.7600	0.000	1	124.7600	0.000	1	124.7600	0.000	1	124.7600	0.000	1	124.7600	0.000	1	124.7600	0.000	1
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]O[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[5,6a]C[3,5]O[3])	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	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)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	H(C[3,5]C[5,6a]N[3,5]C[3])	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	120.7560	0.000	1	120.7560	0.000	1	121.0778	0.213	4	121.0952	0.162	5	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	120.9320	0.000	1	120.9320	0.000	1	121.0778	0.213	4	121.0952	0.162	5	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	120.8610	0.000	1	121.3115	0.406	2	121.0778	0.213	4	121.0952	0.162	5	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	121.7620	0.000	1	121.3115	0.406	2	121.0778	0.213	4	121.0952	0.162	5	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.0952	0.162	5	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]O[3])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[3,5]C[5,6a]C[3,5]O[3])	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]2)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[3,5]C[5,6a]C[3,5]2)	119.7900	0.000	1	119.7528	0.099	4	119.7528	0.099	4	119.7528	0.099	4	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]2)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[3,5]C[5,6a]C[3,5]2)	119.7740	0.000	1	119.7528	0.099	4	119.7528	0.099	4	119.7528	0.099	4	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]2)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[3,5]C[5,6a]C[3,5]2)	119.7235	0.542	2	119.7528	0.099	4	119.7528	0.099	4	119.7528	0.099	4	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[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[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3])	C[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){3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3])	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.4963	0.116	3	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[3,5]C[5,6a]C[3,5]C[3,6])	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[3,5]C[5,6a]C[3,5]C[3,6])	119.3000	0.037	2	119.3000	0.001	2	119.3000	0.001	2	119.4963	0.116	3	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,3x5]C[5,6a]C[3,5])	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3,5]C[3,3x5]C[5,6a]C[3,5])	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	118.6450	0.000	1	118.6450	0.000	1	119.5537	1.114	6	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	120.7170	0.000	1	120.7170	0.000	1	119.5537	1.114	6	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	117.9270	0.000	1	117.9270	0.000	1	119.5537	1.114	6	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	120.2910	0.000	1	120.0110	0.059	3	119.5537	1.114	6	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	119.8710	0.000	2	120.0110	0.059	3	119.5537	1.114	6	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	117.9590	0.000	1	117.9708	0.112	6	118.0224	0.112	7	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	117.5620	0.000	1	117.9708	0.112	6	118.0224	0.112	7	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	117.8160	0.000	1	117.9708	0.112	6	118.0224	0.112	7	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	118.1627	0.360	3	117.9708	0.112	6	118.0224	0.112	7	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	H(C[3,5]C[3,5,5]C[5,6a]C[3,5])	118.3320	0.000	1	118.3320	0.000	1	118.0224	0.112	7	118.9510	1.752	14	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	6:3:3:1:	4:3:3:	4:	Nb[3,5,6,6]-6:N[3]-3:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3: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)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[3,5]Nb[3,5,6,6]C[5,6a]N[3])	114.7650	0.000	1	114.7650	0.000	1	114.7650	0.000	1	114.7650	0.000	1	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,5]	C[5,6a]	H	8:3:3:1:	4:3:3:	4:	Nb[3x3,5,6,6]-8:N[3]-3:C[5,6a]-3:H-1:	C[3,5]-4:C[5,6a]-3: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)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	H(C[3,5]Nb[3x3,5,6,6]C[5,6a]N[3])	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	119.3946	3.225	31	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,6,6]	C[5a,6,6]	H	4:4:3:1:	3:4:3:	4:	C[3,5,6]-4:C[3,5,6]-4:C[5a,6,6]-3:H-1:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[3,6,6]-4:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	H(C[3,6,6]C[5a,6,6]C[3,5,6]2)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	H(C[3,6,6]C[5a,6,6]C[3,5,6]2)	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[3,6]-4:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	H(C[3,6]C[5a,6]C[3,6]C[3])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	H(C[3,6]C[5a,6]C[3,6]C[3])	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.1454	0.284	5	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6]-4:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	H(C[3,6]C[5a,6]C[3,6]C[3])	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	H(C[3,6]C[5a,6]C[3,6]C[3])	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.7785	0.548	2	116.1454	0.284	5	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[3,6]-4:	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	H(C[3,6]C[5a,6]C[3,6]C[3])	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	H(C[3,6]C[5a,6]C[3,6]C[3])	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	115.7785	0.548	2	116.1454	0.284	5	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3,6]	C[5a,6]	H	3:4:4:1:	4:3:2:	4:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[3,6]-4:	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	H(C[3,6]C[5a,6]C[3,6]C[3])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	H(C[3,6]C[5a,6]C[3,6]C[3])	116.2750	0.247	2	116.2750	0.061	2	116.2750	0.061	2	116.2750	0.061	2	116.1454	0.284	5	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[5a]-3:O[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[3]C[5a]C[3]O[3])	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	H(C[3]C[5a]C[3]O[3])	115.3487	0.525	3	115.3487	0.275	3	115.3487	0.275	3	115.3487	0.275	3	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[3]-4:	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[3]C[5a]C[3]N[3])	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:P[3]-4:N[3]-3:H-1:	C[3]-4:C[5a]-3:O[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H)	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	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>}	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|W<6>,2|C<4>,2|H<1>}	H(C[3]C[5a]N[3]P[3])	114.6950	0.000	1	114.6950	0.000	1	114.6950	0.000	1	114.6950	0.000	1	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:O[5a]-2:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	114.7145	0.059	4	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:S[5a]-2:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H){1|Cl<1>,2|C<3>,3|H<1>}	H(C[3]C[5a]C[3]2)	115.0300	0.000	1	115.0300	0.000	1	114.7860	0.119	2	114.7145	0.059	4	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:S[5a]-2:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H){1|B<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.5420	0.000	1	114.5420	0.000	1	114.7860	0.119	2	114.7145	0.059	4	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:N[5a]-2:C[3]-4:	C[3]-4:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.7790	0.000	1	114.7790	0.000	1	114.7790	0.000	1	114.7145	0.059	4	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[3]C[5a]C[3]2)	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	H(C[3]C[5a]C[3]2)	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.9300	0.000	1	114.9300	0.000	1	115.2010	0.285	3	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.8570	0.000	1	114.8570	0.000	1	115.2010	0.285	3	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	115.8160	0.000	1	115.8160	0.000	1	115.2010	0.285	3	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:C[3]-4:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){2|C<3>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	114.7500	0.882	6	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	115.2620	0.000	1	115.2620	0.000	1	115.5225	0.136	2	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a]){4|H<1>}	H(C[3]C[5a]C[3]2)	115.7830	0.000	1	115.7830	0.000	1	115.5225	0.136	2	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[3]-4:O[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	H(C[3]C[5a]C[3]2)	113.0840	0.000	1	113.0840	0.000	1	114.1315	2.195	2	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[3]-4:O[5a]-2:	C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	H(C[3]C[5a]C[3]2)	115.1790	0.000	1	115.1790	0.000	1	114.1315	2.195	2	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a,5a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	115.3610	0.099	2	115.3610	0.010	2	115.3610	0.010	2	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|C<2>,2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.5480	0.000	1	115.3085	1.157	2	113.5038	28.286	6	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	116.0690	0.000	1	115.3085	1.157	2	113.5038	28.286	6	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	112.6015	6.595	4	112.6015	43.500	4	113.5038	28.286	6	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[3]-4:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	114.3565	12.872	13	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N[5a]-2:N[5a]-2:	C[3]-4:	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|O<2>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	H(C[3]C[5a]C[3]2)	116.0112	0.637	6	116.0112	0.406	6	116.0112	0.406	6	115.6258	1.110	9	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N[5a]-2:O[5a]-2:	C[3]-4:	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H)	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H){1|C<3>,1|N<2>}	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	H(C[3]C[5a]C[3]2)	114.2470	1.400	2	114.2470	1.960	2	114.8550	2.089	3	115.6258	1.110	9	114.9251	5.050	37	116.9507	8.633	74
486	727	951	0:SP3_SP-NON_SP2	C[3]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N[5a]-2:O[5a]-2:	C[3]-4:	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	H(C[3]C[5a]C[3]2)	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	H(C[3]C[5a]C[3]2)	116.0710	0.000	1	116.0710	0.000	1	114.8550	2.089	3	115.6258	1.110	9	114.9251	5.050	37	116.9507	8.633	74
486	727	956	0:SP3_SP2_SP2	C[3,6]	C[5a,6]	N	3:5:2:3:	3:3:4:	4:3:4:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[3,6]-4:C-3:C-4:	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1
486	727	962	0:SP3_SP2_SP3	C[3,5,6,6]	C[5,6,6a]	O[3]	3:3:4:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,8|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	124.9120	0.000	1	124.9120	0.000	1	124.9120	0.000	1	124.5815	0.218	2	121.5990	36.340	5	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5,6,6]	C[5,6,6a]	O[3]	3:3:4:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){9|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	124.5815	0.218	2	121.5990	36.340	5	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5,6,6]	C[5,6,6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:	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[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6])	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[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<4>,1|O<2>,2|C<4>,6|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6]){1|N<4>,1|O<2>,2|C<4>,5|C<3>}	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	121.2125	100.097	2	121.5990	36.340	5	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5,6,6]	C[5,6,6a]	O[3]	4:3:4:2:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[3,3x6]-4:	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[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6])	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>}	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){2|O<2>,3|C<4>,5|C<3>}	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6]){1|N<4>,3|C<4>,3|O<2>,4|C<3>}	128.2870	0.000	1	128.2870	0.000	1	128.2870	0.000	1	121.2125	100.097	2	121.5990	36.340	5	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5,6,6]	C[5,6,6a]	O[3]	4:4:3:2:	4:3:3:	4:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:	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[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(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[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6])	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>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|O<2>,2|C<4>,6|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6]){1|N<4>,1|O<2>,2|C<4>,5|C<3>}	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	121.5990	36.340	5	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	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])	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|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>}	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:2:1:	3:4:3:	4:4:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C){1|N<3>,1|O<2>,2|C<3>}	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<1>,4|C<3>}	122.8110	0.000	1	122.8110	0.000	1	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	122.1060	0.167	2	123.3986	1.362	8	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	124.3667	1.265	3	123.3986	1.362	8	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	123.1620	0.130	2	123.3986	1.362	8	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	123.5530	0.000	1	123.3986	1.362	8	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>}	122.2540	0.000	1	122.2540	0.000	1	123.2254	1.210	10	123.2254	1.210	10	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,5]	C[5,6a]	O[3]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H){6|C<3>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	120.2932	32.109	13	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3,6]	C[5a,6]	O[3]	3:4:4:2:	4:3:3:	4:4:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	C[3,6]-4:C[3]-4:	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[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH)	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[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	120.1291	27.602	22
486	727	962	0:SP3_SP2_SP3	C[3]	C[5a]	O[3]	3:4:2:1:	4:3:2:	4:4:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[5a]-3:O[5a]-2:	C[3]-4:C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	118.7247	1.440	3	118.7247	2.073	3	118.7247	2.073	3	118.7247	2.073	3	118.7247	2.073	3	120.1291	27.602	22
486	727	968	0:SP3_SP-NON_SP2	C[3,6]	C[5a,6]	H[3]	3:5:2:3:	3:3:4:	4:5:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[3,6]-4:C[3,6]-5:	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1