854	466	474	0:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	113.0205	2.743	14	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	112.9910	0.673	2	112.9910	0.453	2	112.9910	0.453	2	112.9910	0.453	2	113.0205	2.743	14	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.2415	0.251	2	113.2415	0.063	2	113.2415	0.063	2	112.3840	2.237	3	113.0205	2.743	14	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	112.3840	2.237	3	113.0205	2.743	14	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.5290	1.912	2	113.5290	3.656	2	113.5290	3.656	2	113.5290	3.656	2	113.0205	2.743	14	113.0164	2.547	15
854	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	113.6467	1.739	6	113.6467	3.022	6	113.6467	3.022	6	113.6467	3.022	6	113.0205	2.743	14	113.0164	2.547	15
854	466	474	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	111.0890	0.781	2	111.0890	0.609	2	110.8923	0.269	4	110.8923	0.269	4	110.8923	0.269	4	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	110.6955	0.210	2	110.6955	0.044	2	110.8923	0.269	4	110.8923	0.269	4	110.8923	0.269	4	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	113.6624	1.757	7	113.6624	3.088	7	113.6624	3.088	7	113.6624	3.088	7	113.8496	3.577	9	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	113.8496	3.577	9	112.7849	3.999	15
854	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	113.8496	3.577	9	112.7849	3.999	15
854	466	478	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:N[6,6]-4:H-1:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H)	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(N[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1
854	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	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>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<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]2H){2|C<3>,3|C<4>,7|H<1>}	112.6765	2.829	2	112.6765	8.004	2	112.6765	8.004	2	112.6765	8.004	2	112.2143	3.110	4	112.8880	2.123	8
854	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	111.7520	0.687	2	111.7520	0.472	2	111.7520	0.472	2	111.7520	0.472	2	112.2143	3.110	4	112.8880	2.123	8
854	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:N[6]-4:C-4:	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH)	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH){2|C<4>,4|H<1>}	113.5617	0.796	4	113.5617	0.634	4	113.5617	0.634	4	113.5617	0.634	4	113.5617	0.634	4	112.8880	2.123	8
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	C(N[3x6]C[6,6]3)(H)3	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	109.5467	0.483	3	109.5467	0.233	3	109.5467	0.233	3	109.5467	0.233	3	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:4:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C-4:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	111.0370	0.283	3	111.0370	0.080	3	111.0370	0.080	3	111.0370	0.080	3	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C(N[3x6]C[6,6]3)(H)3	108.7290	1.348	2	108.7290	1.816	2	108.7290	1.816	2	108.7290	1.816	2	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.4190	0.208	2	110.4190	0.043	2	110.4190	0.043	2	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.1847	1.708	4	109.0900	0.975	20	109.2876	1.295	22	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	108.3245	0.442	2	109.0900	0.975	20	109.2876	1.295	22	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.5945	1.719	2	109.0900	0.975	20	109.2876	1.295	22	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.1019	0.669	12	109.0900	0.975	20	109.2876	1.295	22	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	111.2640	0.272	2	111.2640	0.074	2	109.2876	1.295	22	109.3819	1.287	24	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:O-2:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHO)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(OH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(OH)(H)2	110.9490	2.369	3	110.9490	5.611	3	110.9490	5.611	3	110.9490	5.611	3	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CCH)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(CCH)(H)2	109.5630	1.360	2	109.5630	1.851	2	109.5630	1.851	2	111.0704	4.477	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	111.5203	2.235	9	111.5203	4.994	9	111.5203	4.994	9	111.0704	4.477	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(NHH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	C(N[3x6]C[6,6]3)(NHH)(H)2	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	111.0704	4.477	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	108.8550	2.746	2	108.8550	7.543	2	109.5471	8.288	11	109.7087	7.848	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	108.9980	3.494	4	108.9980	12.209	4	109.5471	8.288	11	109.7087	7.848	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C(N[3x6]C[6,6]3)(CHHO)(H)2	108.7925	4.291	2	108.7925	18.416	2	109.5471	8.288	11	109.7087	7.848	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	111.2437	2.044	3	111.2437	4.178	3	109.5471	8.288	11	109.7087	7.848	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:P[3x6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	109.7087	7.848	12	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:Br-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CBrHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(Br)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CBrHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(Br)(H)2	110.1083	3.254	3	110.1083	10.587	3	110.1083	10.587	3	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:Cl-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(Cl)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(Cl)(H)2	109.8336	2.831	17	109.9396	6.909	37	109.9396	6.909	37	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:Cl-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(Cl)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(Cl)(H)2	110.0297	2.514	20	109.9396	6.909	37	109.9396	6.909	37	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:F-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(F)(H)2	109.1167	1.510	4	109.1167	2.280	4	109.7490	1.723	12	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:F-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(F)(H)2	110.1115	0.233	2	110.1115	0.054	2	109.7490	1.723	12	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:F-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(F)(H)2	109.8627	1.777	3	110.0497	1.931	6	109.7490	1.723	12	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:F-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(F)(H)2	110.2367	1.251	3	110.0497	1.931	6	109.7490	1.723	12	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.1363	1.369	3	109.1363	1.873	3	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	108.5790	1.246	3	108.5790	1.552	3	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.6915	0.865	2	109.6915	0.748	2	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.2690	0.555	4	110.2690	0.308	4	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.1545	0.547	2	109.1545	0.299	2	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.1842	0.680	20	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.9820	0.000	1	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.4937	0.681	6	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.6712	0.687	6	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.6316	0.883	36	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.3058	0.948	4	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.2080	1.129	102	110.3191	1.025	175	110.2526	1.081	189	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.9585	0.723	4	110.9585	0.523	4	110.9585	0.523	4	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	109.3330	1.356	2	109.3330	1.839	2	109.9092	0.502	9	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(H)3	110.0739	0.470	7	110.0739	0.220	7	109.9092	0.502	9	110.1848	1.997	255	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-2:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CN)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CN)(H)2	110.0967	1.407	3	110.1149	2.414	27	110.1149	2.414	27	110.1149	2.414	27	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-2:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CN)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CN)(H)2	110.2793	1.856	3	110.1149	2.414	27	110.1149	2.414	27	110.1149	2.414	27	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-2:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CN)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(CN)(H)2	110.0940	1.610	21	110.1149	2.414	27	110.1149	2.414	27	110.1149	2.414	27	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	112.3140	1.065	2	110.7160	8.228	3	110.5248	5.364	6	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	107.5200	0.000	1	110.7160	8.228	3	110.5248	5.364	6	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|H<1>,3|N<3>}	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.3337	2.252	3	110.3337	5.072	3	110.5248	5.364	6	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.6437	2.332	6	110.6437	5.436	6	110.6437	5.436	6	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CNO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CNO)(H)2	109.6820	0.000	1	109.6820	0.000	1	110.3457	9.308	39	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(COO)(H)2	107.5290	0.000	1	107.5290	0.000	1	110.3457	9.308	39	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CNO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CNO)(H)2	107.0720	0.000	1	107.0720	0.000	1	110.3457	9.308	39	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(COO)(H)2	110.8530	0.000	1	110.8530	0.000	1	110.3457	9.308	39	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(COO)(H)2	110.5242	3.131	35	110.5242	9.801	35	110.3457	9.308	39	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	111.3000	0.194	3	111.3000	0.038	3	110.4971	3.981	45	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.6133	0.764	3	110.6133	0.583	3	110.4971	3.981	45	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.3465	2.183	30	110.4264	4.520	39	110.4971	3.981	45	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.6927	2.021	9	110.4264	4.520	39	110.4971	3.981	45	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	110.6585	1.784	12	110.6585	3.181	12	110.6585	3.181	12	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(N[3x6]C[6,6]3)(NHH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C(N[3x6]C[6,6]3)(NHH)(H)2	110.9510	0.225	2	110.9510	0.051	2	110.9510	0.051	2	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCH)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CCH)(H)2	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	110.4839	5.636	111	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	108.3540	0.000	1	108.3540	0.000	1	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	108.8300	0.000	1	108.8300	0.000	1	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	106.5160	0.000	1	106.5160	0.000	1	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	107.7110	0.000	1	107.7110	0.000	1	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CBrHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CBrHH)(H)2	110.0622	2.327	15	110.0882	5.315	18	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CBrHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(CBrHH)(H)2	110.2183	2.688	3	110.0882	5.315	18	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	110.3168	2.214	39	110.3729	4.300	48	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	110.5243	2.191	3	110.3729	4.300	48	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	110.6613	1.057	6	110.3729	4.300	48	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CClHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CClHH)(H)2	110.5593	2.595	3	110.5593	6.732	3	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CFHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CFHH)(H)2	110.8747	2.609	3	110.8747	6.807	3	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	110.6771	1.262	18	110.6506	2.157	27	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	110.2097	1.875	3	110.6506	2.157	27	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	110.7917	2.061	6	110.6506	2.157	27	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	110.5948	2.570	6	110.5948	6.605	6	110.3333	4.089	109	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	110.7250	0.000	2	110.7250	0.000	2	111.3023	1.000	3	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	C(N[3x6]C[6,6]3)(CHHO)(H)2	112.4570	0.000	1	112.4570	0.000	1	111.3023	1.000	3	110.3593	4.021	112	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(H)3	112.5737	0.977	3	112.5737	0.955	3	112.5420	0.640	4	112.5420	0.640	4	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(H)3	112.4470	0.000	1	112.4470	0.000	1	112.5420	0.640	4	112.5420	0.640	4	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(N[3x6]C[6,6]3)(CNO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(CNO)(H)2	115.5380	0.000	1	115.5380	0.000	1	114.6130	1.711	2	111.9302	6.553	5	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(COO)(H)2	113.6880	0.000	1	113.6880	0.000	1	114.6130	1.711	2	111.9302	6.553	5	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.2310	0.000	1	110.2310	0.000	1	110.1417	0.255	3	111.9302	6.553	5	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C[6a]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.0970	0.706	2	110.0970	0.498	2	110.1417	0.255	3	111.9302	6.553	5	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(N[3x6]C[6,6]3)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(CCHH)(H)2	115.1000	0.000	1	115.1000	0.000	1	114.4105	0.951	2	114.4105	0.951	2	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:C-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(N[3x6]C[6,6]3)(CH3)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(N[3x6]C[6,6]3)(CH3)(H)2	113.7210	0.000	1	113.7210	0.000	1	114.4105	0.951	2	114.4105	0.951	2	110.2956	3.411	576	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	117.3655	0.334	2	117.3655	0.112	2	117.3655	0.112	2	117.3655	0.112	2	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(N[6,6]C[3x6]C[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	117.5340	0.000	1	117.5660	0.002	2	117.5660	0.002	2	117.5660	0.002	2	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(N[6,6]C[3x6]C[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	117.5980	0.000	1	117.5660	0.002	2	117.5660	0.002	2	117.5660	0.002	2	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	115.1100	7.396	2	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	115.1100	7.396	2	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(N[6,6]C[3x6]C[6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C(N[6,6]C[3x6]C[6]2)(H)3	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	108.3990	0.749	3	108.4754	0.401	5	108.4754	0.401	5	108.4754	0.401	5	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	108.1220	0.000	1	108.4754	0.401	5	108.4754	0.401	5	108.4754	0.401	5	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	109.0580	0.000	1	108.4754	0.401	5	108.4754	0.401	5	108.4754	0.401	5	112.7786	17.188	13	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	114.2150	0.000	1	114.2150	0.000	1	114.5110	0.089	4	113.5844	4.360	5	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	114.7500	0.181	2	114.6097	0.075	3	114.5110	0.089	4	113.5844	4.360	5	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	114.3290	0.000	1	114.6097	0.075	3	114.5110	0.089	4	113.5844	4.360	5	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	113.5844	4.360	5	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C(N[6,6]C[3x6]C[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	110.7440	0.000	1	110.3800	0.265	2	110.3800	0.265	2	112.0247	3.696	4	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C(N[6,6]C[3x6]C[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6]H)(H)3	110.0160	0.000	1	110.3800	0.265	2	110.3800	0.265	2	112.0247	3.696	4	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C(N[6,6]C[6,6]2H)(H)3	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C(N[6,6]C[6,6]2H)(H)3	113.6695	0.033	2	113.6695	0.001	2	113.6695	0.001	2	112.0247	3.696	4	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.6325	0.071	2	109.6325	0.005	2	109.6325	0.005	2	109.6325	0.005	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	112.5170	0.000	1	112.5170	0.000	1	112.5730	0.006	2	112.5730	0.006	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	112.6290	0.000	1	112.6290	0.000	1	112.5730	0.006	2	112.5730	0.006	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.5330	0.310	2	109.5330	0.096	2	109.5330	0.096	2	109.5330	0.096	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.5035	0.153	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.5035	0.153	2	111.7661	4.695	21	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C(N[6,6]C[6,6]C[6]2)(H)3	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	110.4655	0.295	2	110.4655	0.087	2	110.4655	0.087	2	110.6123	0.106	4	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	110.7590	0.379	2	110.7590	0.144	2	110.7590	0.144	2	110.6123	0.106	4	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	109.2190	3.708	2	109.2190	13.750	2	109.4065	9.443	4	109.4065	9.443	4	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	109.5940	3.800	2	109.5940	14.440	2	109.4065	9.443	4	109.4065	9.443	4	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6]2)(H)3	105.9450	0.000	1	105.9450	0.000	1	108.8585	16.977	2	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6]2)(H)3	111.7720	0.000	1	111.7720	0.000	1	108.8585	16.977	2	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.3700	0.000	1	109.3700	0.000	1	107.2387	3.940	3	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	106.1730	1.032	2	106.1730	1.066	2	107.2387	3.940	3	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	108.5750	0.000	1	108.5750	0.000	1	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.3135	1.007	4	109.3135	1.013	4	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[6,6]C[6,6]C[6]2)(H)3	110.3080	0.000	1	110.3080	0.000	1	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.6920	0.000	1	109.5110	0.066	2	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.3300	0.000	1	109.5110	0.066	2	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]C[6]2)(H)3	109.7785	0.760	2	109.7785	0.578	2	109.4716	0.609	10	108.9433	2.990	15	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	106.9300	0.000	1	106.9300	0.000	1	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	107.3750	0.663	3	107.1347	0.524	4	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	106.4140	0.000	1	107.1347	0.524	4	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	112.4793	0.111	3	112.5380	0.021	5	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	112.7550	0.000	1	112.5380	0.021	5	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	112.4970	0.000	1	112.5380	0.021	5	109.8159	8.421	10	109.8159	8.421	10	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	111.3320	0.515	2	111.3320	0.265	2	111.3320	0.265	2	111.3320	0.265	2	109.5498	4.560	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6]C[6]H)(H)3	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	111.7500	0.014	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	111.8330	0.000	1	111.8330	0.000	1	111.8330	0.000	1	111.7500	0.014	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	113.7220	0.000	1	113.2660	0.194	3	113.2603	0.167	11	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	113.0380	0.274	2	113.2660	0.194	3	113.2603	0.167	11	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	113.2581	0.428	8	113.2581	0.183	8	113.2603	0.167	11	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	113.4867	0.907	3	113.4867	0.822	3	113.4867	0.822	3	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	112.5140	0.000	1	112.5140	0.000	1	112.8905	0.284	2	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	113.2670	0.000	1	113.2670	0.000	1	112.8905	0.284	2	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C(N[6]C[6,6]C[6]O)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]O)(H)3	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	113.1249	0.384	18	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(CCH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	114.6330	0.543	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	114.6330	0.543	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6a]-3:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	114.1337	1.078	4	114.1337	1.163	4	114.1337	1.163	4	114.8189	1.330	9	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	114.9720	0.000	1	114.9720	0.000	1	115.7940	0.839	3	114.8189	1.330	9	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	116.2050	0.815	2	116.2050	0.664	2	115.7940	0.839	3	114.8189	1.330	9	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	114.8189	1.330	9	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	114.8189	1.330	9	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C(N[6]C[6,6]C[6]N)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6]N)(H)3	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	111.2680	0.745	2	111.2680	0.555	2	111.2680	0.555	2	111.2680	0.555	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	113.0070	1.133	2	113.0070	1.283	2	113.0070	1.283	2	113.0070	1.283	2	113.3549	1.765	37	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2H)(CCHH)(H)2	113.7510	0.013	2	113.7510	0.000	2	113.7510	0.000	2	113.7510	0.000	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	109.4308	3.033	4	109.4308	9.199	4	109.4308	9.199	4	109.4308	9.199	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C-3:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	108.5327	0.318	4	108.5327	0.101	4	108.5327	0.101	4	109.0705	2.408	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	110.1460	2.875	2	110.1460	8.266	2	110.1460	8.266	2	109.0705	2.408	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6]C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C(N[6]C[6,6a]C[6]C)(H)3	108.1830	2.649	2	108.1830	7.016	2	108.1830	7.016	2	108.1830	7.016	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6,6]C[6]C)(H)3	108.3880	2.249	3	108.3880	5.060	3	108.3880	5.060	3	108.6581	2.823	7	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	108.5800	2.292	2	108.5800	5.255	2	108.8607	2.144	4	108.6581	2.823	7	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6,6]C[6]C)(H)3	109.1415	0.928	2	109.1415	0.862	2	108.8607	2.144	4	108.6581	2.823	7	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	Si[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	C(N[6]C[6]N[6]C)(H)3	110.0905	2.327	2	110.0905	5.415	2	110.1123	3.621	4	110.1123	3.621	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	Si[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	C(N[6]C[6]N[6]C)(H)3	110.1340	2.333	2	110.1340	5.445	2	110.1123	3.621	4	110.1123	3.621	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:4:	5:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-5:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6]C)(H)3	110.2503	2.297	4	110.2503	5.278	4	109.9583	2.981	12	109.9583	2.981	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:4:	5:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-5:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6]C)(H)3	109.8123	1.533	8	109.8123	2.350	8	109.9583	2.981	12	109.9583	2.981	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:4:	6:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-6:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	C(N[6]C[6]N[6]C)(H)3	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6]C)(H)3	110.5305	1.500	4	110.5305	2.251	4	110.5305	2.251	4	110.5305	2.251	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]2C)(H)3	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	111.2335	2.296	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	111.2335	2.296	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C(N[6]C[6]2C)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2C)(CCHH)(H)2	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCC)(H)2	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCC)(H)2	107.3370	1.266	2	107.3370	1.602	2	107.3370	1.602	2	107.3370	1.602	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	110.3303	1.092	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	110.3303	1.092	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	110.3303	1.092	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	110.3303	1.092	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.2755	1.012	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2H)(H)3	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	111.2755	1.012	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	Ga[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	113.8730	1.458	2	113.8730	2.126	2	113.8730	2.126	2	113.8730	2.126	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2H)(CH3)3	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.0325	2.828	2	111.0325	7.996	2	111.0325	7.996	2	111.0325	7.996	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.2518	0.870	4	111.2518	0.756	4	111.2518	0.756	4	111.1783	0.523	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.0315	0.532	2	111.0315	0.284	2	111.0315	0.284	2	111.1783	0.523	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	113.1580	0.000	1	113.1580	0.000	1	113.3655	0.086	2	113.3655	0.086	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	113.5730	0.000	1	113.5730	0.000	1	113.3655	0.086	2	113.3655	0.086	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	111.0730	2.425	2	110.5968	2.139	12	110.5968	2.139	12	110.5968	2.139	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	110.5016	1.379	10	110.5968	2.139	12	110.5968	2.139	12	110.5968	2.139	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	110.4670	0.000	1	110.4670	0.000	1	112.4906	7.041	15	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	112.6351	2.692	14	112.6351	7.245	14	112.4906	7.041	15	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	113.1140	0.000	1	113.1140	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.7860	0.000	1	110.7860	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.2390	0.000	1	111.2390	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.2600	0.000	1	110.2600	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.5990	0.000	1	111.5990	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	115.2190	0.000	1	115.2190	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.4920	0.000	1	111.4920	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.5970	0.000	1	109.5970	0.000	1	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.5356	1.246	30	111.4019	2.393	38	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.9185	2.682	6	111.4019	2.393	38	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.2660	0.000	1	111.4019	2.393	38	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	112.4270	0.000	1	111.4019	2.393	38	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.6765	2.848	2	111.5794	3.445	20	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.9105	2.149	2	111.5794	3.445	20	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.6955	2.353	8	111.5794	3.445	20	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.7630	2.168	2	111.5794	3.445	20	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	111.8873	1.094	6	111.5794	3.445	20	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	112.1564	1.389	36	112.1564	1.930	36	111.7235	2.521	102	111.8218	3.111	117	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	114.1848	1.079	4	114.1848	1.164	4	113.4110	2.313	6	113.4110	2.313	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	112.5290	0.000	1	112.5290	0.000	1	113.4110	2.313	6	113.4110	2.313	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	111.1980	0.000	1	111.1980	0.000	1	113.4110	2.313	6	113.4110	2.313	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	C(N[6]C[5,6,6]C[6]H)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(N[6]C[5,6,6]C[6]H)(H)3	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(H)3	111.9920	0.000	2	111.8510	0.060	3	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6]H)(H)3	111.5690	0.000	1	111.8510	0.060	3	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(H)3	111.2719	0.450	8	111.2719	0.202	8	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(H)3	112.8930	0.000	1	112.8930	0.000	1	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(H)3	112.0327	0.544	3	112.0327	0.296	3	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6,6]C[6]H)(H)3	109.6760	0.000	1	109.6760	0.000	1	111.5247	0.602	16	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	108.1940	0.000	1	108.1940	0.000	1	108.1765	0.001	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	108.1590	0.000	1	108.1590	0.000	1	108.1765	0.001	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	C(N[6]C[6,6]C[6]O)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]O)(H)3	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.5180	2.044	2	111.5180	4.176	2	111.5180	4.176	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(N[6]C[6]2H)(H)3	109.2530	0.000	1	109.2530	0.000	1	109.9120	0.869	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	110.5710	0.000	1	110.5710	0.000	1	109.9120	0.869	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.8040	0.000	1	111.8040	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	113.1360	0.000	1	113.1360	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2H)(H)3	112.1100	0.000	1	112.1100	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	112.7070	0.000	1	112.7070	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C(N[6]C[6]2H)(H)3	111.1690	0.000	1	111.1690	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(H)3	110.2920	0.000	1	110.2920	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.2300	0.065	2	111.2920	0.014	3	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.4160	0.000	1	111.2920	0.014	3	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.7278	0.396	4	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.5490	0.510	6	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.7209	2.228	20	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.0246	0.672	10	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.2535	0.299	2	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.5800	0.000	1	111.5106	2.472	43	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2H)(H)3	111.6733	0.812	6	111.6733	0.659	6	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.8780	0.000	1	111.8780	0.000	1	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.7900	0.573	6	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.5890	0.000	1	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.4452	0.597	72	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.6022	0.239	4	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.2065	0.118	2	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.9454	0.722	18	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	111.6540	1.722	52	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	111.6085	0.774	2	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.4410	1.372	69	111.5437	1.429	226	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	112.0438	0.539	12	112.0438	0.291	12	111.5669	1.490	297	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(O)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(H)3	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2O)(H)3	110.2985	0.185	4	110.2985	0.034	4	110.2985	0.034	4	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	C(N[6]Ga[6]C[6]H)(H)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]Ga[6]C[6]H)(H)3	110.0125	0.192	2	110.0125	0.037	2	110.0125	0.037	2	111.5009	1.529	327	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	B[5,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	B[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	110.9675	0.127	2	110.9675	0.016	2	110.9675	0.016	2	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(CCH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	109.4080	0.000	1	109.4080	0.000	1	110.2140	1.299	2	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(CCH)(H)2	111.0200	0.000	1	111.0200	0.000	1	110.2140	1.299	2	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	110.7210	2.653	2	110.7210	7.039	2	110.7210	7.039	2	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	111.3602	1.223	16	111.3594	1.420	18	111.4729	1.228	26	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	111.3530	1.310	2	111.3594	1.420	18	111.4729	1.228	26	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(COO)(H)2	111.4640	0.973	4	111.4640	0.946	4	111.4729	1.228	26	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCH)(H)2	112.1930	0.615	2	112.1930	0.378	2	111.4729	1.228	26	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[6a]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CC[6a]C)(H)2	111.7915	1.368	2	111.7915	1.872	2	111.4729	1.228	26	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[5]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	110.8930	2.571	2	110.8930	6.610	2	110.8930	6.610	2	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	111.6303	1.416	8	111.6303	2.004	8	111.6303	2.004	8	111.3297	1.540	44	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	113.9883	7.370	9	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	114.1886	2.830	8	114.1886	8.010	8	114.1886	8.010	8	113.9883	7.370	9	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	111.6573	1.160	4	111.6573	1.346	4	111.4594	1.205	5	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	110.6680	0.000	1	110.6680	0.000	1	111.4594	1.205	5	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	115.7810	0.368	2	115.7810	0.135	2	113.7710	12.188	3	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	109.7510	0.000	1	109.7510	0.000	1	113.7710	12.188	3	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[3]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	112.5170	0.195	2	112.5170	0.038	2	112.5170	0.038	2	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	110.1495	0.207	2	110.1495	0.043	2	110.1495	0.043	2	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	110.9950	4.637	2	110.9950	21.504	2	111.4102	10.951	4	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	111.8255	3.265	2	111.8255	10.658	2	111.4102	10.951	4	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	111.3600	0.588	2	111.3600	0.346	2	111.4472	4.721	6	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	111.4907	2.783	4	111.4907	7.746	4	111.4472	4.721	6	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	111.4270	3.759	2	111.4270	14.130	2	111.6455	5.881	4	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	111.8640	1.823	2	111.8640	3.323	2	111.6455	5.881	4	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:B-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CBHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(BF3)(H)2	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(BF3)(H)2	111.7270	0.844	2	111.7270	0.713	2	111.7270	0.713	2	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.1980	0.000	1	111.1980	0.000	1	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(N[6]C[6]2H)(CC[5a]HH)(H)2	114.9380	0.000	1	114.9380	0.000	1	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.0799	1.772	46	111.2474	2.763	66	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.5482	1.203	8	111.2474	2.763	66	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.6893	1.472	12	111.2474	2.763	66	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	111.1455	3.013	2	111.1455	9.078	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CC[5]HH)(H)2	111.3342	1.765	16	111.3342	3.116	16	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2H)(CC[5a]HH)(H)2	115.6280	0.000	1	115.6280	0.000	1	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2H)(CC[6a]HH)(H)2	111.6178	1.051	10	111.6178	1.106	10	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CClHH)(H)2	110.0995	1.003	2	110.0995	1.007	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	112.4185	0.326	2	112.4185	0.106	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	111.4737	1.873	10	111.4737	3.507	10	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	112.7368	1.998	4	112.7368	3.993	4	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CN[5]HH)(H)2	110.7125	1.975	2	110.7125	3.900	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	110.5440	0.000	1	110.5440	0.000	1	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	113.3680	0.000	1	113.3680	0.000	1	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.6929	1.702	28	111.6745	2.631	62	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.0000	1.272	4	111.6745	2.631	62	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	112.4685	1.675	2	111.6745	2.631	62	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.6957	1.627	28	111.6745	2.631	62	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	110.6699	1.936	14	110.7034	3.390	16	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	110.9380	1.420	2	110.7034	3.390	16	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[5a]HO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CC[5a]HO)(H)2	111.3180	2.225	4	111.3180	4.949	4	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	111.5917	2.282	30	112.1780	18.012	40	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	115.0513	9.880	6	112.1780	18.012	40	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	111.9885	1.333	2	112.1780	18.012	40	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CH3)(H)2	112.5405	1.237	2	112.1780	18.012	40	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	111.0040	0.000	1	111.4013	4.110	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	111.3298	2.218	22	111.4013	4.110	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	111.8942	0.878	4	111.4013	4.110	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	109.6180	0.000	1	111.5824	2.493	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	111.4227	2.208	4	111.5824	2.493	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	111.7140	1.197	4	111.5824	2.493	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	111.0345	1.163	2	111.5824	2.493	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	111.7806	1.618	16	111.5824	2.493	27	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHS)(H)2	111.9760	1.249	6	111.9760	1.561	6	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	111.5737	2.322	22	111.5737	5.394	22	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CC[6a]HH)(H)2	111.6158	2.217	16	111.6158	4.915	16	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CClHH)(H)2	112.0792	1.743	6	112.0792	3.040	6	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHN)(H)2	111.3685	2.276	4	111.3685	5.180	4	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	112.9560	0.000	1	112.3267	9.581	3	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CHHO)(H)2	112.0120	4.309	2	112.3267	9.581	3	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CN[5]HH)(H)2	111.6950	1.929	2	111.6950	3.721	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CN[5a]HH)(H)2	111.4680	0.506	2	111.4680	0.256	2	111.5775	4.871	356	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(PO3)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(PO3)(H)2	111.5445	1.229	4	111.5445	1.511	4	112.1939	2.874	14	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(PC[6a]OO)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2H)(PC[6a]OO)(H)2	112.5687	1.840	8	112.5687	3.387	8	112.1939	2.874	14	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(PHOO)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2H)(PHOO)(H)2	111.9935	2.495	2	111.9935	6.227	2	112.1939	2.874	14	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:Si-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	111.3820	2.357	2	111.3820	5.558	2	111.0697	3.262	6	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:Si-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	110.9135	1.867	4	110.9135	3.486	4	111.0697	3.262	6	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P[6]-4:H-1:H-1:	N[6]-4:P-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	C(N[6]C[6]2H)(PO3)(H)2	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	C(N[6]C[6]2H)(PO3)(H)2	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2O)(CC[6a]HH)(H)2	109.5475	1.025	2	109.5475	1.050	2	109.4720	2.541	8	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2O)(CHHO)(H)2	109.1185	2.027	2	109.1185	4.110	2	109.4720	2.541	8	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2O)(CCHO)(H)2	109.2270	2.735	2	109.2270	7.481	2	109.4720	2.541	8	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2O)(CHHO)(H)2	109.9950	2.053	2	109.9950	4.217	2	109.4720	2.541	8	111.5556	4.778	414	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-3:H-1:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(COO)(H)	111.4870	1.287	2	111.4870	1.656	2	111.4870	1.656	2	111.4870	1.656	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CCHH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2H)(CCHH)(CH3)(H)	113.1640	3.465	2	113.1640	12.005	2	113.1640	12.005	2	113.3220	6.221	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:P-4:P-4:H-1:	N[6](C[6]C[6]HH)2(CHPP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(PO3)2(H)	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2H)(PO3)2(H)	113.4800	2.561	2	113.4800	6.559	2	113.4800	6.559	2	113.3220	6.221	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	C(N[6]B[6]C[6]H)(CH3)3	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	C(N[6]B[6]C[6]H)(CH3)3	112.6810	0.000	1	112.6810	0.000	1	112.9900	0.191	2	113.7778	0.826	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C(N[6]B[6]C[6]H)(CH3)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]B[6]C[6]H)(CH3)3	113.2990	0.000	1	113.2990	0.000	1	112.9900	0.191	2	113.7778	0.826	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2H)(CH3)3	114.8090	0.000	1	114.8090	0.000	1	114.3030	0.522	3	113.7778	0.826	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)3	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(CH3)3	114.6240	0.000	1	114.6240	0.000	1	114.3030	0.522	3	113.7778	0.826	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C(N[6]C[6]2H)(CH3)3	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2H)(CH3)3	113.4760	0.000	1	113.4760	0.000	1	114.3030	0.522	3	113.7778	0.826	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-2:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	114.1510	3.242	3	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	114.0280	0.000	1	114.0280	0.000	1	115.0190	1.964	2	114.1510	3.242	3	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	116.0100	0.000	1	116.0100	0.000	1	115.0190	1.964	2	114.1510	3.242	3	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.2865	0.224	2	111.2865	0.050	2	111.2188	0.524	4	111.2188	0.524	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	111.1510	1.226	2	111.1510	1.503	2	111.2188	0.524	4	111.2188	0.524	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	C(N[6]C[6]2H)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CCHO)(H)2	115.3385	0.303	2	115.3385	0.092	2	113.7047	8.054	3	113.7047	8.054	3	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(CCHH)(H)2	110.4370	0.000	1	110.4370	0.000	1	113.7047	8.054	3	113.7047	8.054	3	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.9640	0.000	1	109.9640	0.000	1	111.2185	3.148	2	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	112.4730	0.000	1	112.4730	0.000	1	111.2185	3.148	2	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	113.7730	0.000	1	113.7730	0.000	1	112.8303	3.990	4	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	114.4310	0.000	1	114.4310	0.000	1	112.8303	3.990	4	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	113.1840	0.000	1	113.1840	0.000	1	112.8303	3.990	4	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	109.9330	0.000	1	109.9330	0.000	1	112.8303	3.990	4	112.2930	3.716	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6]C[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6]H)(H)3	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	112.6300	2.455	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	112.1610	0.000	1	112.1610	0.000	1	113.1448	1.506	4	112.6300	2.455	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2H)(H)3	114.4760	0.000	1	114.4760	0.000	1	113.1448	1.506	4	112.6300	2.455	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(N[6]C[6]2H)(H)3	112.0440	0.000	1	112.0440	0.000	1	113.1448	1.506	4	112.6300	2.455	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(H)3	113.8980	0.000	1	113.8980	0.000	1	113.1448	1.506	4	112.6300	2.455	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:P-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C(N[6]C[6]2H)(PO3)(H)2	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2H)(PO3)(H)2	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]CC)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(N[6]C[6]2H)(H)3	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(H)3	112.2972	0.289	6	112.2972	0.084	6	112.2972	0.084	6	112.2972	0.084	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[5]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	113.4215	0.105	2	113.4215	0.011	2	113.4215	0.011	2	113.1863	0.325	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(N[6]C[6]2H)(CBCH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(CBCH)(H)2	113.1175	1.569	2	113.1175	2.462	2	113.1471	0.372	12	113.1863	0.325	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(N[6]C[6]2H)(CCHH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(CCHH)(H)2	113.0212	0.365	8	113.0212	0.133	8	113.1471	0.372	12	113.1863	0.325	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(N[6]C[6]2H)(CH3)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(CH3)(H)2	113.6800	0.021	2	113.6800	0.000	2	113.1471	0.372	12	113.1863	0.325	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:1:	4:4:4:4:	5:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	Si[5]-5:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	113.0595	0.663	6	113.0595	0.440	6	113.0595	0.440	6	113.0595	0.440	6	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	C(N[6]C[6]2N)(H)3	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2N)(H)3	109.2105	1.890	2	109.2105	3.572	2	109.2105	3.572	2	109.7510	1.338	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(OP)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(H)3	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2O)(H)3	110.3910	0.578	2	110.3910	0.335	2	110.3910	0.335	2	109.7510	1.338	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	C(N[6]Ga[6]C[6]O)(H)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C(N[6]Ga[6]C[6]O)(H)3	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.7510	1.338	5	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(NS)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	C(N[6]C[6]2N)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2N)(CCH)(H)2	108.2660	0.395	4	108.2660	0.156	4	108.2660	0.156	4	108.2660	0.156	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2O)(CCHH)(H)2	109.9940	1.121	2	109.9940	1.258	2	109.8690	0.531	4	109.8690	0.531	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C(N[6]C[6]2O)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2O)(CCHH)(H)2	109.7440	0.522	2	109.7440	0.272	2	109.8690	0.531	4	109.8690	0.531	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	C(N[6]C[6]2O)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2O)(CCHH)(H)2	108.1950	0.525	2	108.1950	0.275	2	108.2365	0.164	4	108.2365	0.164	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	C(N[6]C[6]2O)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2O)(CCHH)(H)2	108.2780	0.457	2	108.2780	0.209	2	108.2365	0.164	4	108.2365	0.164	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	C(N[6]C[6,6]C[6]N)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]N)(H)3	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:In[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C(N[6]In[6]C[6]C)(CHHN)(H)2	108.1265	1.609	2	108.1265	2.588	2	108.1265	2.588	2	108.1265	2.588	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:4:1:	C[6]-4:B[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	C(N[6]B[6]C[6]C)(CH3)2(H)	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C(N[6]B[6]C[6]C)(CH3)2(H)	108.7030	0.875	2	108.7030	0.766	2	108.7030	0.766	2	108.7030	0.766	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2C)(H)3	110.0980	1.487	4	110.0980	2.212	4	110.0980	2.212	4	110.0980	2.212	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2C)(H)3	105.9170	0.000	1	105.9170	0.000	1	108.8995	3.481	12	108.8995	3.481	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	109.2880	0.000	1	109.2880	0.000	1	108.8995	3.481	12	108.8995	3.481	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2C)(H)3	109.7045	1.423	8	109.7045	2.024	8	108.8995	3.481	12	108.8995	3.481	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C(N[6]C[6]2C)(H)3	106.9765	1.582	2	106.9765	2.502	2	108.8995	3.481	12	108.8995	3.481	12	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C(N[6]C[6]2C)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2C)(CC[5a]HH)(H)2	112.9670	0.000	1	112.9670	0.000	1	110.0155	17.423	2	110.0155	17.423	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CHHO)(H)2	107.0640	0.000	1	107.0640	0.000	1	110.0155	17.423	2	110.0155	17.423	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	109.1872	1.851	6	109.1872	3.425	6	109.9888	3.754	26	109.9888	3.754	26	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	110.1577	2.484	10	110.1577	6.172	10	109.9888	3.754	26	109.9888	3.754	26	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	110.8640	0.853	2	110.8640	0.727	2	109.9888	3.754	26	109.9888	3.754	26	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	110.1601	1.441	8	110.1601	2.078	8	109.9888	3.754	26	109.9888	3.754	26	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6]C)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[5,6]C[6]C)(H)3	107.1680	1.557	2	107.1680	2.424	2	107.1680	2.424	2	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	C(N[6]C[6,6]C[6]C)(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]C)(H)3	109.0080	0.781	2	109.0080	0.609	2	109.0080	0.609	2	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2C)(H)3	110.0155	2.393	4	109.8164	6.482	8	109.8164	6.482	8	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2C)(H)3	109.6172	3.048	4	109.8164	6.482	8	109.8164	6.482	8	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2C)(H)3	109.6910	1.178	4	109.6910	1.387	4	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2C)(H)3	107.9850	0.000	1	109.7330	2.696	25	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	109.8058	1.636	24	109.7330	2.696	25	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	C(N[6]C[6]2C)(H)3	112.0590	0.000	1	111.1550	0.984	19	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	111.1048	0.996	18	111.1550	0.984	19	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	108.9184	1.445	10	108.9184	2.089	10	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.5690	0.419	2	110.5690	0.175	2	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	109.7503	1.637	12	109.7503	2.679	12	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.0987	2.675	4	110.0987	7.155	4	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	C(N[6]C[6]2C)(H)3	110.6145	0.093	2	110.2035	3.477	109	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.3405	2.096	8	110.2035	3.477	109	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.1596	1.502	16	110.2035	3.477	109	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	109.9154	1.629	12	110.2035	3.477	109	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2C)(H)3	110.2351	2.000	71	110.2035	3.477	109	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.3588	2.173	4	110.3588	4.722	4	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(H)3	110.1936	1.390	8	110.1936	1.933	8	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(H)3	109.6341	1.652	8	109.6341	2.728	8	110.1171	3.054	205	110.0686	3.201	217	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN)(H)2	110.4605	1.859	2	110.4605	3.456	2	109.2343	4.740	4	109.2343	4.740	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CN)(H)2	108.0080	2.179	2	108.0080	4.749	2	109.2343	4.740	4	109.2343	4.740	4	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	109.2565	1.098	2	109.2565	1.206	2	109.4951	4.283	14	109.4951	4.283	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(COO)(H)2	108.4228	2.540	6	108.4228	6.449	6	109.4951	4.283	14	109.4951	4.283	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	110.9257	1.169	4	110.9257	1.367	4	109.4951	4.283	14	109.4951	4.283	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	110.0895	1.490	2	110.0895	2.220	2	109.4951	4.283	14	109.4951	4.283	14	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	110.4600	2.243	2	110.4600	5.031	2	110.4600	5.031	2	110.4600	5.031	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	104.8355	0.824	2	104.8355	0.679	2	104.8355	0.679	2	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCHH)(H)2	108.9889	4.042	18	108.9889	16.339	18	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2C)(CC[5a]HH)(H)2	113.0260	0.000	1	113.0260	0.000	1	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CFHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CFHH)(H)2	108.6605	2.488	2	108.6605	6.192	2	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CN[5a]HH)(H)2	110.4080	3.110	2	110.4080	9.671	2	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CCHH)(H)2	108.5023	1.505	4	108.5023	2.264	4	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CH3)(H)2	108.9045	1.976	2	108.9045	3.906	2	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	C(N[6]C[6]2C)(CHHO)(H)2	110.9270	0.000	1	109.0352	5.353	5	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CHHO)(H)2	108.5623	2.376	4	109.0352	5.353	5	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CCo2C)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(CCo2C)(H)2	108.3099	2.226	8	108.3099	4.957	8	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CH3)(H)2	107.9400	1.498	4	107.9400	2.244	4	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CN[5]HH)(H)2	110.9505	2.753	2	110.9505	7.578	2	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CH3)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2C)(CH3)(H)2	110.3490	2.256	6	110.3490	5.091	6	109.1146	8.448	54	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:Si-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	109.2406	2.092	8	109.2406	4.378	8	109.2406	4.378	8	108.9967	8.173	64	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C(N[6]C[6]2C)(CH3)2(H)	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2C)(CH3)2(H)	108.3550	1.993	8	108.3550	3.971	8	108.3550	3.971	8	108.3550	3.971	8	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C(N[6]C[6]2C)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2C)(H)3	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C(N[6]C[6]2C)(CCH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2C)(CCH)(H)2	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:1:	3:4:1:1:	4:4:1:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	113.5165	0.730	2	113.5165	0.534	2	113.5165	0.534	2	113.5165	0.534	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:1:	3:4:2:1:	4:4:1:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:4:	3:4:1:1:	4:1:1:1:	In[4,6]-5:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	C(N[6]In[4,6]C[6]C)(H)3	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C(N[6]In[4,6]C[6]C)(H)3	107.4165	0.455	2	107.4165	0.207	2	107.4165	0.207	2	107.4165	0.207	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:4:	3:4:1:1:	4:4:1:1:	In[4,6]-5:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	112.9805	0.094	2	112.9805	0.009	2	112.9805	0.009	2	112.9805	0.009	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	C(N[6]Ga[4,6]C[6]C)(H)3	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	C(N[6]Ga[4,6]C[6]C)(H)3	108.8475	1.958	2	108.8475	3.834	2	108.8475	3.834	2	108.8475	3.834	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	5:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	109.6490	1.618	2	109.6490	2.617	2	109.6490	2.617	2	109.6490	2.617	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	6:4:4:4:	3:4:3:1:	4:1:1:1:	Nb[6,6]-6:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:N-3:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C(N[6]Nb[6,6]C[6]C)(H)3	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C(N[6]Nb[6,6]C[6]C)(H)3	110.3020	1.616	2	110.3020	2.613	2	110.3020	2.613	2	110.3020	2.613	2	111.0890	4.425	1453	110.9047	4.461	2137
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	B(N[3x6]C[6,6]3)(COO)(H)2	111.6440	2.244	6	111.6440	5.036	6	111.6440	5.036	6	111.6440	5.036	6	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	B(N[3x6]C[6,6]3)(H)3	109.1175	1.702	2	108.9525	2.289	4	109.4242	2.336	9	109.4242	2.336	9	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	B(N[3x6]C[6,6]3)(H)3	108.7875	1.965	2	108.9525	2.289	4	109.4242	2.336	9	109.4242	2.336	9	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	B(N[3x6]C[6,6]3)(H)3	109.2330	1.537	2	109.5450	2.966	4	109.4242	2.336	9	109.4242	2.336	9	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	B(N[3x6]C[6,6]3)(H)3	109.8570	2.479	2	109.5450	2.966	4	109.4242	2.336	9	109.4242	2.336	9	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(BH3){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	B(N[3x6]C[6,6]3)(H)3	110.8280	0.000	1	110.8280	0.000	1	109.4242	2.336	9	109.4242	2.336	9	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	B(N[3x6]C[6,6]3)(H)3	114.0925	0.610	2	113.7390	0.808	4	113.7390	0.808	4	113.7390	0.808	4	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:H-1:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	B(N[3x6]C[6,6]3)(H)3	113.3855	1.245	2	113.7390	0.808	4	113.7390	0.808	4	113.7390	0.808	4	111.0336	5.617	19	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6,6]	C[6,6]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	B(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	B(N[6,6]C[6,6]C[6]2)(H)3	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6,6]	C[6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	B(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	B(N[6,6]C[6,6]C[6]2)(H)3	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6]	C[6,6]	B	4:4:4:1:	4:4:4:1:	4:3:3:3:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	114.6680	0.646	2	114.6680	0.418	2	114.6680	0.418	2	114.6680	0.418	2	114.6680	0.418	2	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6]	C[6]	B	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	B(C[6a]C[6a]2)3(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2H)	114.7883	1.467	8	114.7883	2.152	8	114.7883	2.152	8	114.7883	2.152	8	113.6130	3.378	16	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6]	C[6]	B	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(BH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	B(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	B(N[6]C[6]2H)(H)3	111.8683	0.077	4	111.8683	0.006	4	111.8683	0.006	4	111.8683	0.006	4	113.6130	3.378	16	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6]	C[6]	B	4:4:4:1:	4:4:4:1:	3:3:3:4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	B(C[6a]C[6a]2)3(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2H)	114.6075	0.704	2	114.6075	0.495	2	114.6075	0.495	2	114.6075	0.495	2	113.6130	3.378	16	112.3744	6.516	39
854	466	610	0:SP3_SP3_SP3	N[6]	C[6]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:Si-4:B-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(SiC3)(BH3)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	B(N[6]C[6]2Si)(H)3	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	B(N[6]C[6]2Si)(H)3	111.4070	0.396	2	111.4070	0.157	2	111.4070	0.157	2	111.4070	0.157	2	113.6130	3.378	16	112.3744	6.516	39
854	466	622	6:SP3_SP3_SP3	N[3x6]	C[6,6]	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:Ga[6,6]-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	107.1687	0.284	3	107.1687	0.081	3	108.0042	1.013	6	108.0042	1.013	6	108.0042	1.013	6	108.4137	1.337	8
854	466	622	6:SP3_SP3_SP3	N[3x6]	C[6,6]	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:Ga[6,6]-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	108.8397	0.597	3	108.8397	0.357	3	108.0042	1.013	6	108.0042	1.013	6	108.0042	1.013	6	108.4137	1.337	8
854	466	622	6:SP3_SP3_SP3	N[4x6]	C[4x6]	O[6,6]	4:4:2:1:	4:3:4:4:	4:4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	B[3x6]-4:N[4x6]-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H){2|C<3>,2|N<3>,4|C<4>}	109.6425	0.523	2	109.6425	0.273	2	109.6425	0.273	2	109.6425	0.273	2	109.6425	0.273	2	108.4137	1.337	8
854	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	113.6177	0.536	3	113.6177	0.287	3	113.6177	0.287	3	113.6177	0.287	3	110.8829	11.927	7	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-4:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H){1|H<2>,2|C<3>,2|C<4>,9|H<1>}	108.8317	3.252	4	108.8317	10.574	4	108.8317	10.574	4	108.8317	10.574	4	110.8829	11.927	7	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	110.5500	1.075	2	110.5500	1.155	2	110.5500	1.155	2	110.5500	1.155	2	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	113.2170	2.216	4	113.2170	4.912	4	112.9650	2.676	22	112.6890	3.462	24	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	112.9007	1.802	6	112.9007	3.249	6	112.9650	2.676	22	112.6890	3.462	24	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	113.7570	2.363	2	113.7570	5.584	2	112.9650	2.676	22	112.6890	3.462	24	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	112.7445	1.398	10	112.7445	1.956	10	112.9650	2.676	22	112.6890	3.462	24	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:O-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	109.6520	1.819	2	109.6520	3.308	2	109.6520	3.308	2	112.6890	3.462	24	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-4:N[6a]-2:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a])	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	111.7005	1.651	2	111.7005	2.726	2	111.7005	2.726	2	111.7005	2.726	2	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	111.1515	0.248	2	111.1515	0.062	2	111.1515	0.062	2	111.1515	0.062	2	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	114.6593	0.789	15	114.6593	0.622	15	114.6785	0.890	18	114.6785	0.890	18	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H){2|H<1>,4|C<3>,6|C<4>}	114.7747	1.786	3	114.7747	3.191	3	114.6785	0.890	18	114.6785	0.890	18	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	115.0380	0.000	1	115.0380	0.000	1	110.8470	13.193	3	110.8470	13.193	3	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	108.7515	0.199	2	108.7515	0.039	2	110.8470	13.193	3	110.8470	13.193	3	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	111.9340	0.761	2	111.4133	1.103	3	111.4133	1.103	3	111.4133	1.103	3	113.0062	4.226	54	112.7625	5.391	61
854	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	110.3720	0.000	1	111.4133	1.103	3	111.4133	1.103	3	111.4133	1.103	3	113.0062	4.226	54	112.7625	5.391	61
854	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	110.8917	0.110	3	110.8917	0.012	3	110.8917	0.012	3	110.8917	0.012	3	110.8917	0.012	3	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	114.0475	2.924	2	114.0475	8.549	2	114.0475	8.549	2	114.0475	8.549	2	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	107.5630	0.000	1	107.4575	0.022	2	107.4575	0.022	2	107.4575	0.022	2	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|C<3>,4|H<1>}	107.3520	0.000	1	107.4575	0.022	2	107.4575	0.022	2	107.4575	0.022	2	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	108.4260	0.437	2	108.4260	0.191	2	108.4260	0.191	2	108.5307	0.128	3	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	108.5307	0.128	3	110.9676	24.234	9	110.9486	17.628	12
854	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC){1|N<3>,3|C<3>,3|H<1>}	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	110.9676	24.234	9	110.9486	17.628	12
854	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:1:	3:4:1:1:	4:4:3:	C[6]-4:In[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	114.1990	0.000	1	114.1990	0.000	1	114.1990	0.000	1	114.1990	0.000	1	113.8285	0.275	2	113.8285	0.275	2
854	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	5:4:3:1:	3:4:1:1:	4:4:3:	In[6]-5:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	113.8285	0.275	2	113.8285	0.275	2
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:3:3:1:	4:3:4:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H){1|C<4>,2|C<3>,3|H<1>}	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	108.5300	0.471	2	108.5300	0.222	2	108.5300	0.222	2	108.5300	0.222	2	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,4|H<1>}	109.2450	0.013	2	109.4297	0.046	4	109.4297	0.046	4	109.4297	0.046	4	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,5|H<1>}	109.6145	0.023	2	109.4297	0.046	4	109.4297	0.046	4	109.4297	0.046	4	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:C-3:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH){2|C<4>,8|H<1>}	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	109.6240	2.225	9	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	113.6898	1.164	4	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[3x6]-3:N[6]-4:C[6]-3:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	114.4410	1.047	2	114.4410	1.095	2	114.4410	1.095	2	114.0280	1.059	3	113.6898	1.164	4	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:C[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	114.0280	1.059	3	113.6898	1.164	4	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	112.2965	0.073	2	112.2965	0.005	2	112.2965	0.005	2	112.2965	0.005	2	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<3>,4|H<1>}	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<4>,4|H<1>}	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<4>,4|H<1>}	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:4:	4:3:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1474	12.714	8	110.2169	8.542	21
854	466	786	6:SP3_SP3_SP3	N[6]	C[6]	B[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[5,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1
854	466	830	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(F)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	F(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(F){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	F(N[3x6]C[6,6]3)	107.2520	0.533	2	107.2520	0.284	2	107.2520	0.284	2	107.2520	0.284	2	107.2520	0.284	2	107.2520	0.284	2
854	466	863	0:SP3_SP2_SP3	N[3x6]	C[6,6]	O	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)3(O)	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	O(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)3(O){3|C<4>}	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	O(N[3x6]C[6,6]3)	110.3373	2.225	21	110.3373	4.950	21	110.3373	4.950	21	110.3373	4.950	21	110.3373	4.950	21	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	O(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(N[6,6]C[3x6]C[6,6]C)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	110.4825	3.310	2	110.4825	3.310	2	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	O(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	O(N[6,6]C[3x6]C[6]2)	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	110.4825	3.310	2	110.4825	3.310	2	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[6,6]	O	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	O(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	O(N[6,6]C[6,6]C[6]2)	111.7565	0.610	2	111.7565	0.372	2	111.7565	0.372	2	111.7565	0.372	2	111.0120	1.849	3	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[6,6]	O	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	O(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	O(N[6,6]C[3x6]C[6,6]C)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	111.0120	1.849	3	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	O(N[6,6]C[3x6]C[6]2)	109.0085	0.445	2	109.0085	0.198	2	109.0085	0.198	2	109.4732	0.616	6	109.4732	0.616	6	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	O(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	O(N[6,6]C[6,6]C[6]2)	108.9730	0.045	2	108.9730	0.002	2	108.9730	0.002	2	109.4732	0.616	6	109.4732	0.616	6	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6,6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	O(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(N[6,6]C[6,6]C[6]2)	110.4380	0.297	2	110.4380	0.088	2	110.4380	0.088	2	109.4732	0.616	6	109.4732	0.616	6	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6,6]	O	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:O-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	O(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	O(N[6]C[6,6]C[6]C)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:O-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(N[6]C[6a]C[6]2)	109.2030	0.853	2	109.2030	0.727	2	109.2030	0.727	2	109.2030	0.727	2	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	O(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(N[6]C[6,6]C[6]C)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(N[6]C[6]2C)	109.7195	0.984	2	109.6947	0.430	4	109.6331	0.761	12	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(N[6]C[6]2C)	109.6700	0.566	2	109.6947	0.430	4	109.6331	0.761	12	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(N[6]C[6]2C)	109.1120	1.749	2	109.8835	1.814	4	109.6331	0.761	12	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(N[6]C[6]2C)	110.6550	0.004	2	109.8835	1.814	4	109.6331	0.761	12	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(O)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	O(N[6]C[6]2C)	109.3210	0.574	4	109.3210	0.330	4	109.6331	0.761	12	109.5989	0.713	13	109.5461	0.683	15	109.9971	2.785	48
854	466	874	0:SP3_SP3_SP3	N[3x6]	C[6,6]	B[3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B[3x6]-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3){12|H<1>,4|C<4>}	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3){6|C<4>,9|H<1>}	111.5507	0.420	3	111.5507	0.176	3	111.5507	0.176	3	111.5507	0.176	3	111.5507	0.176	3	110.8131	2.184	7
854	466	874	0:SP3_SP3_SP3	N[6,6]	C[6]	B[6]	3:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	110.2600	1.816	4	110.2600	3.298	4	110.2600	3.298	4	110.2600	3.298	4	110.2600	3.298	4	110.8131	2.184	7
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	111.9620	0.580	4	111.9620	0.337	4	111.9620	0.337	4	111.9620	0.337	4	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:3:2:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	111.4970	1.610	4	111.4970	2.591	4	111.4970	2.591	4	111.4970	2.591	4	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:3:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	112.8840	0.668	4	112.8840	0.446	4	112.8840	0.446	4	112.8840	0.446	4	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:3:3:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	112.4515	0.164	6	112.4515	0.027	6	112.6431	0.248	8	112.6431	0.248	8	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:3:3:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	113.2180	0.847	2	113.2180	0.718	2	112.6431	0.248	8	112.6431	0.248	8	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	111.8380	2.418	2	111.8380	5.848	2	111.8380	5.848	2	111.8380	5.848	2	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:4:	3:4:1:1:	4:2:2:2:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	107.5355	0.909	2	107.5355	0.826	2	107.5355	0.826	2	107.5355	0.826	2	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:4:4:4:	3:4:1:1:	4:3:2:2:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	108.0310	0.574	2	108.0310	0.330	2	108.0310	0.330	2	108.0310	0.330	2	111.5895	3.734	26	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	109.8020	2.433	2	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:P-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	109.8020	2.433	2	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:1:1:	3:4:1:1:	2:4:3:3:	C[6]-4:B[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	O[6]-2:N[6]-4:C-3:C-3:	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	113.2067	1.209	3	113.2067	1.461	3	113.2067	1.461	3	113.2067	1.461	3	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.9310	0.081	2	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	112.9310	0.081	2	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:1:	4:4:1:1:	3:4:1:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-3:N[6]-4:H-1:H-1:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O-2:O-2:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	110.5600	0.116	2	110.5600	0.013	2	110.5600	0.013	2	110.5600	0.013	2	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:B[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-3:N[6]-4:F-1:F-1:	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	103.0340	0.000	1	103.0340	0.000	1	103.0340	0.000	1	103.0340	0.000	1	110.3836	9.607	12	111.1383	5.568	40
854	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:Si-4:Si-4:	N[6]-4:B[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	108.3535	0.035	2	108.3535	0.001	2	108.3535	0.001	2	108.3535	0.001	2	110.3836	9.607	12	111.1383	5.568	40
854	466	880	0:SP3_SP3_SP3	N[6]	C[6]	Si	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:Si-4:B-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-3:	N[6](C[6]C[6]HH)2(SiC3)(BH3)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	Si(N[6]C[6]2B)(CH3)2(CHH)	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	Si(N[6]C[6]2B)(CH3)2(CHH)	109.6790	0.486	2	109.6790	0.237	2	109.6790	0.237	2	109.6790	0.237	2	109.6925	1.269	6	109.6925	1.269	6
854	466	880	0:SP3_SP3_SP3	N[6]	C[6]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	B[6]-4:C[6]-4:Si-4:Si-4:	N[6]-4:B[6]-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	Si(N[6]B[6]C[6]Si)(CH3)3	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	Si(N[6]B[6]C[6]Si)(CH3)3	109.6993	1.427	4	109.6993	2.036	4	109.6993	2.036	4	109.6993	2.036	4	109.6925	1.269	6	109.6925	1.269	6
854	466	893	0:SP3_SP3_SP3	N[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	O(N[3x6]C[6,6]3)(H)	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(N[3x6]C[6,6]3)(H)	108.8462	3.308	6	108.8737	9.411	9	108.8737	9.411	9	108.8737	9.411	9	108.8737	9.411	9	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:H-1:	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	O(N[3x6]C[6,6]3)(H)	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	O(N[3x6]C[6,6]3)(H)	108.9287	3.207	3	108.8737	9.411	9	108.8737	9.411	9	108.8737	9.411	9	108.8737	9.411	9	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	O(N[6,6]C[3x6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	O(N[6,6]C[3x6]C[6]2)(H)	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(N[6,6]C[3x6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	O(N[6,6]C[3x6]C[6]2)(H)	109.3040	0.310	2	109.3040	0.096	2	109.3040	0.096	2	109.3040	0.096	2	109.3040	0.096	2	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:H-1:	N[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(N[6]C[6]2H)(H)	108.8450	3.599	2	108.8450	12.954	2	108.8450	12.954	2	108.8450	12.954	2	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:H-1:	N[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(H)	108.7830	0.655	2	108.7830	0.429	2	108.7830	0.429	2	108.7830	0.429	2	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:B-4:	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(BC[6a]2C)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(BC[6a]2C)	110.2850	0.010	2	110.2850	0.000	2	109.9500	0.287	6	108.4528	5.015	10	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:B-4:	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(BC[6a]2H)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(BC[6a]2H)	109.6665	1.019	2	109.6665	1.038	2	109.9500	0.287	6	108.4528	5.015	10	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:B-4:	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(BC[6a]2O)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(BC[6a]2O)	109.8985	0.081	2	109.8985	0.007	2	109.9500	0.287	6	108.4528	5.015	10	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C-4:	N[6](C[6]C[6]CC)2(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(CC[5]CH)	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(CC[5]CH)	105.6595	2.726	2	105.6595	7.431	2	105.6595	7.431	2	108.4528	5.015	10	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:P-4:	N[6](C[6]C[6]CC)2(OP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	O(N[6]C[6]2H)(PCHW)	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2H)(PCHW)	106.7545	1.203	2	106.7545	1.447	2	106.7545	1.447	2	108.4528	5.015	10	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:P-4:	N[6](C[6]C[6]HH)2(CH3)(OP)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	O(N[6]C[6]2C)(PO3)	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	O(N[6]C[6]2C)(PO3)	107.9620	4.943	2	107.9620	24.430	2	107.9620	24.430	2	108.1240	12.294	3	108.4798	5.246	17	108.6168	5.822	29
854	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:Ga-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	O(N[6]Ga[6]C[6]C)(GaCCO)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	O(N[6]Ga[6]C[6]C)(GaCCO)	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	108.1240	12.294	3	108.4798	5.246	17	108.6168	5.822	29
854	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	Si[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	N[6](N[6]C[6]CC)(C[6]O[6]H)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	N[6](N[6]C[6]CC)(C[6]O[6]H){1|Si<4>,2|H<1>}	113.5840	0.000	1	113.5840	0.000	1	113.3885	0.076	2	113.3885	0.076	2	114.3726	1.973	10	114.3726	1.973	10
854	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	Si[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<4>,2|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.3885	0.076	2	113.3885	0.076	2	114.3726	1.973	10	114.3726	1.973	10
854	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:4:	5:4:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-5:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	113.9950	1.278	2	113.9950	1.634	2	114.8192	2.777	6	114.8192	2.777	6	114.3726	1.973	10	114.3726	1.973	10
854	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:4:	5:4:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-5:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	115.2312	1.845	4	115.2312	3.404	4	114.8192	2.777	6	114.8192	2.777	6	114.3726	1.973	10	114.3726	1.973	10
854	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:4:	6:4:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	Si[6,6]-6:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	N[6](N[6]C[6]CC)(C[6]O[6]C)	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<6>,2|H<1>}	114.0170	0.639	2	114.0170	0.409	2	114.0170	0.409	2	114.0170	0.409	2	114.3726	1.973	10	114.3726	1.973	10
854	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C(N[6]C[6]2H)(CAlSi)(H)	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2H)(CAlSi)(H)	110.6255	0.552	2	110.6255	0.305	2	110.6255	0.305	2	110.6255	0.305	2	113.6713	7.205	12	113.6713	7.205	12
854	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:1:	4:4:4:4:	4:4:3:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C-4:C-3:	N[6](C[6]C[6]CC)2(CCC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(N[6]C[6]2H)(CCHH)(CBH)	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2H)(CCHH)(CBH)	115.4171	0.787	8	115.4171	0.619	8	115.4171	0.619	8	115.4171	0.619	8	113.6713	7.205	12	113.6713	7.205	12
854	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:4:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:N[6]-4:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	109.7340	0.817	2	109.7340	0.668	2	109.7340	0.668	2	109.7340	0.668	2	113.6713	7.205	12	113.6713	7.205	12
854	466	941	0:SP3_SP2_SP3	N[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C-3:	N[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	N(N[6]C[6]2C)(CC[6a]O)	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(N[6]C[6]2C)(CC[6a]O)	108.9145	5.345	2	108.9145	28.569	2	108.9145	28.569	2	108.9145	28.569	2	109.6032	33.968	6	109.6032	33.968	6
854	466	941	0:SP3_SP2_SP3	N[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:S-4:	N[6](C[6]C[6]HH)2(CCHH)(NS)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	N(N[6]C[6]2C)(SC[6a]OO)	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	N(N[6]C[6]2C)(SC[6a]OO)	109.9475	6.828	4	109.9475	46.616	4	109.9475	46.616	4	109.9475	46.616	4	109.6032	33.968	6	109.6032	33.968	6
854	466	943	0:SP3_SP-NON_SP3	N[6,6]	C[6]	Ga[6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1
854	466	943	6:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga[6,6]	4:4:2:4:	4:4:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	111.1940	1.689	2	111.1940	2.851	2	111.4520	0.711	6	111.4520	0.711	6	111.4520	0.711	6	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga[6,6]	4:4:2:4:	4:4:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	111.5850	0.000	1	111.5850	0.000	1	111.4520	0.711	6	111.4520	0.711	6	111.4520	0.711	6	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga[6,6]	4:4:2:4:	4:4:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	111.8695	0.035	2	111.8695	0.001	2	111.4520	0.711	6	111.4520	0.711	6	111.4520	0.711	6	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[3x6]	C[6,6]	Ga[6,6]	4:4:2:4:	4:4:1:1:	4:2:4:4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.4520	0.711	6	111.4520	0.711	6	111.4520	0.711	6	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[6,6]	C[6,6]	Ga[6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[6]	C[6]	Ga[6,6]	4:4:4:1:	3:4:1:1:	2:2:4:4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	111.0030	2.376	2	111.0030	5.645	2	111.0030	5.645	2	111.0030	5.645	2	111.0030	5.645	2	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[6]	C[6]	Ga[6]	4:4:4:1:	4:4:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	111.4800	0.000	1	111.4800	0.000	1	111.0460	0.377	2	111.0460	0.377	2	110.5280	0.993	3	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[6]	C[6]	Ga[6]	4:4:4:1:	4:4:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	110.6120	0.000	1	110.6120	0.000	1	111.0460	0.377	2	111.0460	0.377	2	110.5280	0.993	3	110.8770	1.874	12
854	466	943	6:SP3_SP-NON_SP3	N[6]	C[6]	Ga[6]	4:4:4:2:	4:4:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:C-4:O-2:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	110.5280	0.993	3	110.8770	1.874	12
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[3x6]C[6,6]3)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	H(N[3x6]C[6,6]3)	114.3990	2.656	2	112.6767	6.392	4	112.6767	6.392	4	112.6767	6.392	4	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	110.9545	0.508	2	112.6767	6.392	4	112.6767	6.392	4	112.6767	6.392	4	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(N[3x6]C[6,6]3)	110.0730	2.138	2	110.0730	4.572	2	110.0730	4.572	2	110.0730	4.572	2	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.9925	0.060	2	108.9925	0.004	2	109.3195	0.783	4	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.6670	0.000	1	108.6670	0.000	1	109.3195	0.783	4	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	110.6260	0.000	1	110.6260	0.000	1	109.3195	0.783	4	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(N[3x6]C[6,6]3)	106.9260	4.961	2	107.4911	22.084	10	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(N[3x6]C[6,6]3)	108.6270	0.064	2	107.4911	22.084	10	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(N[3x6]C[6,6]3)	108.8330	6.358	4	107.4911	22.084	10	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(N[3x6]C[6,6]3)	104.2365	4.611	2	107.4911	22.084	10	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	H(N[3x6]C[6,6]3)	109.5290	0.078	6	110.1161	3.844	79	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)3(H){3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(N[3x6]C[6,6]3)	110.1643	2.033	73	110.1161	3.844	79	109.8211	6.361	89	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	H(N[3x6]C[6,6]2S[6,6])	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	H(N[3x6]C[6,6]2S[6,6])	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	109.7800	6.090	94	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(N[3x6]C[5,4x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(N[3x6]C[5,4x6]C[6,6]2)	108.1355	0.107	4	108.1355	0.011	4	108.1355	0.011	4	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(N[3x6]C[6,6]3)	108.7065	3.384	2	108.7065	11.448	2	108.9941	17.208	19	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	H(N[3x6]C[6,6]3)	109.0240	4.298	10	109.0240	18.475	10	108.9941	17.208	19	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(N[3x6]C[6,6]3)	109.0592	5.134	6	109.0592	26.361	6	108.9941	17.208	19	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	H(N[3x6]C[6,6]3)	108.8790	0.000	1	108.8790	0.000	1	108.9941	17.208	19	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.2321	4.563	42	109.2321	20.822	42	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.1163	5.144	42	108.1163	26.457	42	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	111.9755	5.168	2	111.9755	26.711	2	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.6260	4.879	2	108.6260	23.805	2	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.8100	1.655	4	109.8100	2.740	4	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.0030	0.000	1	109.0030	0.000	1	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.0127	0.043	4	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.3025	3.285	2	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.8810	0.831	12	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(N[3x6]C[6,6]3)	108.7765	0.275	2	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.1843	0.319	89	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.8897	0.312	7	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.9082	1.250	31	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.9265	0.046	2	109.0632	0.533	149	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.3212	0.747	6	108.3212	0.557	6	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.1720	0.298	45	109.1720	0.089	45	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.9160	0.000	1	108.9160	0.000	1	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.7310	0.000	1	108.7310	0.000	1	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.7225	0.074	2	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.1348	2.451	209	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	107.9560	0.260	2	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.0243	0.034	3	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.9920	2.853	3	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.4554	1.181	5	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.0463	0.038	3	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.8003	2.060	3	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	109.1060	1.692	6	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.1130	2.165	829	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(N[3x6]C[6,6]3)	108.9188	3.842	50	109.1082	5.300	1115	109.0812	5.714	1410	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)2(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	C[6,6](N[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(N[3x6]C[6,6]3)	106.5359	3.966	6	106.5359	15.727	6	108.5603	6.801	18	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(N[3x6]C[6,6]3)	109.5592	0.062	6	109.5592	0.004	6	108.5603	6.801	18	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)2(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	H(N[3x6]C[6,6]3)	109.5860	0.119	6	109.5860	0.014	6	108.5603	6.801	18	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(N[3x6]C[6,6]3)	110.5260	0.000	1	110.5260	0.000	1	109.9330	12.300	5	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(N[3x6]C[6,6]3)	108.2340	0.000	1	108.2340	0.000	1	109.9330	12.300	5	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(N[3x6]C[6,6]3)	107.6040	1.375	2	107.6040	1.890	2	109.9330	12.300	5	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(N[3x6]C[6,6]3)	115.6970	0.000	1	115.6970	0.000	1	109.9330	12.300	5	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:P[3x6]-4:H-1:H-1:	N[3x6]-4:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2	H(N[3x6]C[6,6]2S[6,6])	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	H(N[3x6]C[6,6]2S[6,6])	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	109.0731	5.865	1457	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	N[3x6]-4:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	H(N[3x6]C[6,6]3)	106.5590	0.000	1	106.5590	0.000	1	106.5590	0.000	1	106.5590	0.000	1	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(N[3x6]C[6,6]3)	106.9875	0.708	2	106.9875	0.501	2	106.9875	0.501	2	106.9875	0.501	2	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	109.6353	2.454	11	109.6353	6.020	11	108.4145	7.290	44	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.4450	0.000	1	108.4450	0.000	1	108.4145	7.290	44	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	108.0754	2.799	30	108.0754	7.835	30	108.4145	7.290	44	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	106.7715	0.892	2	106.7715	0.795	2	108.4145	7.290	44	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	105.2450	0.000	1	105.2450	0.000	1	105.7160	0.167	3	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(N[3x6]C[6,6]3)	105.9720	0.000	1	105.9515	0.001	2	105.7160	0.167	3	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(N[3x6]C[6,6]3)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(N[3x6]C[6,6]3)	105.9310	0.000	1	105.9515	0.001	2	105.7160	0.167	3	108.2422	7.266	47	109.0963	5.981	1608	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[4x6]	C[4x6]	H	4:4:2:1:	4:3:4:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	N[4x6]-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	H(N[4x6]C[4x6]2O[6,6])	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	H(N[4x6]C[4x6]2O[6,6])	108.9355	4.683	2	108.9355	21.932	2	108.9355	21.932	2	108.9355	21.932	2	108.9355	21.932	2	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	H(N[6,6]C[3x6]C[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	H(N[6,6]C[3x6]C[6,6]H)	109.2595	0.045	2	109.2595	0.002	2	109.2595	0.002	2	109.2595	0.002	2	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	106.7870	0.000	1	106.7870	0.000	1	106.7870	0.000	1	106.9125	0.032	2	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	H(N[6,6]C[3x6]C[6]2)	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	106.9125	0.032	2	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	104.0825	0.271	2	104.0825	0.073	2	104.0825	0.073	2	104.0825	0.073	2	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	105.6650	0.000	1	103.2280	11.878	2	103.2280	11.878	2	104.4593	10.488	3	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	100.7910	0.000	1	103.2280	11.878	2	103.2280	11.878	2	104.4593	10.488	3	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[6,6]-4:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	H(N[6,6]C[3x6]C[6]2)	106.9220	0.000	1	106.9220	0.000	1	106.9220	0.000	1	104.4593	10.488	3	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	109.1983	1.681	3	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	H(N[6,6]C[3x6]C[6]2)	108.4835	0.544	2	108.4835	0.296	2	108.4835	0.296	2	109.1983	1.681	3	106.7902	7.730	12	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	H(N[6,6]C[6,6a]C[6,6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	H(N[6,6]C[6,6a]C[6,6]C[6])	110.0013	2.957	3	110.0013	8.744	3	110.0013	8.744	3	110.0013	8.744	3	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	H(N[6,6]C[3x6]C[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6,6]H)	109.2615	0.005	2	109.2615	0.000	2	109.2615	0.000	2	108.7572	3.559	6	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	H(N[6,6]C[6,6]2H)	N[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[6,6]2H)	108.5050	2.383	4	108.5050	5.678	4	108.5050	5.678	4	108.7572	3.559	6	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	H(N[6,6]C[6,6]2H)	N[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,8|H<1>}	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	H(N[6,6]C[6,6]2H)	110.1235	0.210	2	110.1235	0.044	2	110.1235	0.044	2	110.1235	0.044	2	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	107.8718	0.223	14	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.2240	0.023	2	108.2240	0.001	2	107.8509	0.200	8	107.8718	0.223	14	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.7265	0.453	6	107.7265	0.205	6	107.8509	0.200	8	107.8718	0.223	14	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.8718	0.223	14	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.8935	0.669	4	107.8935	0.447	4	107.8935	0.447	4	107.8718	0.223	14	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.5255	0.821	2	107.5255	0.674	2	107.5255	0.674	2	107.5255	0.674	2	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(N[6,6]C[3x6]C[6,6]C)	102.9440	0.000	1	102.9440	0.000	1	103.6022	0.365	4	104.4246	3.655	5	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	104.1005	0.223	2	103.8217	0.258	3	103.6022	0.365	4	104.4246	3.655	5	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	103.2640	0.000	1	103.8217	0.258	3	103.6022	0.365	4	104.4246	3.655	5	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	H(N[6,6]C[4,6,6]C[6,6]C)	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	H(N[6,6]C[4,6,6]C[6,6]C)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	104.4246	3.655	5	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	109.2250	0.000	1	109.7070	0.465	2	109.7070	0.465	2	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	H(N[6,6]C[3x6]C[6,6]C)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[3x6]C[6,6]C)	110.1890	0.000	1	109.7070	0.465	2	109.7070	0.465	2	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(N[6,6]C[5,6]C[6,6]C[6])	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(N[6,6]C[5,6]C[6,6]C[6])	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(N[6,6]C[6,6]2C)	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	H(N[6,6]C[6,6]2C)	111.0110	0.291	2	111.0110	0.085	2	111.0110	0.085	2	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	H(N[6,6]C[6,6]C[6]2)	110.6000	0.000	1	103.0735	113.296	2	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	H(N[6,6]C[6,6]C[6]2)	95.5470	0.000	1	103.0735	113.296	2	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(N[6,6]C[6,6]C[6]2)	106.6593	6.014	3	106.3927	9.869	13	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	H(N[6,6]C[6,6]C[6]2)	109.0780	0.000	1	106.3927	9.869	13	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(N[6,6]C[6,6]C[6]2)	106.2393	1.475	6	106.3927	9.869	13	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(N[6,6]C[6,6]C[6]2)	107.5975	0.032	2	106.3927	9.869	13	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	H(N[6,6]C[6,6]C[6]2)	101.4180	0.000	1	106.3927	9.869	13	105.9501	17.915	15	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	112.6440	0.000	1	112.2945	0.244	2	109.9060	17.237	3	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	111.9450	0.000	1	112.2945	0.244	2	109.9060	17.237	3	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	105.1290	0.000	1	105.1290	0.000	1	109.9060	17.237	3	107.2767	15.608	25	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	N[6,6]-4:	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	H(N[6,6]C[6,6]C[6]2)	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	107.6182	9.209	58	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(N[6,6]C[6,6a]C[6,6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	H(N[6,6]C[6,6a]C[6,6]C[6])	111.2127	1.032	3	111.2127	1.065	3	111.2127	1.065	3	111.2127	1.065	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	106.9477	1.239	4	106.9477	1.535	4	106.9477	1.535	4	106.9477	1.535	4	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.2352	0.070	4	107.2352	0.005	4	107.2352	0.005	4	108.3169	5.600	9	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	H(N[6,6]C[5,6]C[6,6]C[6])	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	H(N[6,6]C[5,6]C[6,6]C[6])	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	108.3169	5.600	9	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	109.8242	3.061	4	109.8242	9.372	4	109.8242	9.372	4	108.3169	5.600	9	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	102.3850	0.000	1	106.2750	30.264	2	106.2750	30.264	2	107.2023	17.712	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	110.1650	0.000	1	106.2750	30.264	2	106.2750	30.264	2	107.2023	17.712	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	N[6,6]-4:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	107.2023	17.712	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(N[6,6]B[6,6]C[6]2)	106.4745	3.235	4	106.4745	10.466	4	106.5498	4.242	17	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.0547	0.055	4	107.0798	0.005	5	106.5498	4.242	17	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	H(N[6,6]B[6,6]C[6]2)	107.1800	0.000	1	107.0798	0.005	5	106.5498	4.242	17	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]B[6,6]C[6]2)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(N[6,6]B[6,6]C[6]2)	106.2561	2.215	8	106.2561	4.904	8	106.5498	4.242	17	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(N[6,6]C[3x6]C[6]2)	107.4400	0.000	1	107.4400	0.000	1	107.8219	0.541	8	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(N[6,6]C[3x6]C[6]2)	107.2770	0.000	1	107.2770	0.000	1	107.8219	0.541	8	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[3x6]C[6]2)	107.0580	0.000	1	107.0580	0.000	1	107.8219	0.541	8	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6]2)	107.0420	0.000	1	107.0420	0.000	1	107.8219	0.541	8	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[3x6]C[6]2)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6]2)	108.4395	0.458	4	108.4395	0.210	4	107.8219	0.541	8	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.6430	0.000	1	107.6430	0.000	1	107.0935	0.604	2	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(N[6,6]C[6,6]C[6]2)	106.5440	0.000	1	106.5440	0.000	1	107.0935	0.604	2	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.1930	0.000	1	108.1930	0.000	1	106.8628	10.010	4	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	106.4193	3.720	3	106.4193	13.836	3	106.8628	10.010	4	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	103.2900	0.000	1	105.7519	14.273	10	105.7519	14.273	10	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	104.2580	2.943	6	105.7519	14.273	10	105.7519	14.273	10	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	109.5603	3.331	3	105.7519	14.273	10	105.7519	14.273	10	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.1850	0.000	1	108.1850	0.000	1	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.2340	0.028	2	107.9156	0.192	8	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.8095	0.463	6	107.9156	0.192	8	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.2220	0.031	2	108.2220	0.001	2	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.8685	0.447	6	107.8685	0.200	6	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.9255	4.604	2	108.9255	21.197	2	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	105.1760	3.783	4	107.4553	10.678	13	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.4683	2.627	9	107.4553	10.678	13	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.6300	0.000	1	107.6300	0.000	1	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.6275	0.193	4	107.6275	0.037	4	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.3100	0.000	1	108.3100	0.000	1	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.3100	0.000	1	108.3100	0.000	1	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	105.0085	3.638	2	105.0085	13.236	2	107.6759	4.634	41	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5,6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	H(N[6,6]C[6,6]C[6]2)	101.8840	0.000	1	101.8840	0.000	1	101.8840	0.000	1	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	104.4570	0.000	1	104.4570	0.000	1	104.4570	0.000	1	107.0743	5.852	85	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	108.5650	0.000	1	110.8650	10.580	2	110.8650	10.580	2	109.4470	11.322	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	H(N[6,6]C[6,6]C[6]2)	113.1650	0.000	1	110.8650	10.580	2	110.8650	10.580	2	109.4470	11.322	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(N[6,6]C[6,6]C[6]2)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(N[6,6]C[6,6]C[6]2)	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	109.4470	11.322	3	107.3602	6.365	107	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	N[6]-4:	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	H(N[6]C[3x6]C[6]H)	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	H(N[6]C[3x6]C[6]H)	111.2660	3.707	2	111.2660	13.739	2	111.2660	13.739	2	111.2660	13.739	2	111.2660	13.739	2	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(N[6]C[6,6]C[6]H)	107.2815	1.145	2	107.2815	1.311	2	107.2815	1.311	2	106.6745	23.104	4	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(N[6]C[6,6]C[6]H)	106.0675	8.156	2	106.0675	66.528	2	106.0675	66.528	2	106.6745	23.104	4	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	H(N[6]C[6,6]C[6]H)	108.4015	1.404	2	108.4015	1.970	2	108.4015	1.970	2	108.4015	1.970	2	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(N[6]C[6,6]2H)	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(N[6]C[6,6]2H)	108.6285	0.050	4	108.6285	0.002	4	108.6285	0.002	4	108.5411	2.046	10	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6]H)	108.6210	0.747	2	108.6210	0.558	2	108.4828	3.671	6	108.5411	2.046	10	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(N[6]C[6,6]C[6]H)	108.8300	0.035	2	108.8300	0.001	2	108.4828	3.671	6	108.5411	2.046	10	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6,6]C[6]H)	107.9975	4.129	2	107.9975	17.047	2	108.4828	3.671	6	108.5411	2.046	10	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6]C[6]C)	116.3880	0.000	1	116.3880	0.000	1	116.3880	0.000	1	110.9240	59.711	2	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6]C[6]C)	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	110.9240	59.711	2	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	H(N[6]C[6,6]2B)	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(N[6]C[6,6]2B)	103.5965	0.005	2	103.5965	0.000	2	103.5965	0.000	2	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	107.3360	0.000	1	107.3360	0.000	1	106.3171	6.389	15	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	106.1543	0.983	3	106.1543	0.967	3	106.3171	6.389	15	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(N[6]C[6,6]C[6]C)	99.7305	0.000	1	105.2485	22.953	3	106.3171	6.389	15	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	108.0075	0.483	2	105.2485	22.953	3	106.3171	6.389	15	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6]C[6]C)	106.6515	2.273	8	106.6515	5.168	8	106.3171	6.389	15	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	99.6391	0.000	1	99.6391	0.000	1	102.9120	4.973	4	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	H(N[6]C[6,6]C[6]C)	103.6865	0.185	2	103.6865	0.034	2	102.9120	4.973	4	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	104.6360	0.000	1	104.6360	0.000	1	102.9120	4.973	4	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	H(N[6]C[6,6]C[6]C)	106.8230	0.000	1	106.8230	0.000	1	106.7765	0.004	4	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	H(N[6]C[6,6]C[6]C)	106.7610	0.069	3	106.7610	0.005	3	106.7765	0.004	4	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6]C[6]C)	110.9100	0.000	1	110.9100	0.000	1	108.5418	6.394	5	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6]C)	105.7180	0.000	1	105.7180	0.000	1	108.5418	6.394	5	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6]C[6]C)	106.8090	0.000	1	106.8090	0.000	1	108.5418	6.394	5	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	H(N[6]C[6,6]C[6]C)	111.4520	0.000	1	111.4520	0.000	1	108.5418	6.394	5	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	H(N[6]C[6,6]C[6]C)	107.8200	0.000	1	107.8200	0.000	1	108.5418	6.394	5	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	H(N[6]C[6,6]C[6]2)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	H(N[6]C[6,6]C[6]2)	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	106.2659	7.900	31	107.0409	9.624	49	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	10:4:1:1:	4:4:1:1:	4:	Nb[5x3,4,6]-10:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	H(N[6]Nb[5x3,4,6]C[6]H)	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,6|H<1>}	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	H(N[6]Nb[5x3,4,6]C[6]H)	108.9950	0.412	2	108.9950	0.169	2	108.9950	0.169	2	108.9950	0.169	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	H(N[6]C[6,6a]C[6]H)	106.8760	0.059	2	106.8760	0.004	2	106.8760	0.004	2	106.8760	0.004	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6a]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6]H)	109.1762	2.854	4	109.1762	8.146	4	109.1762	8.146	4	109.1762	8.146	4	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6a]C[6]2)	108.0570	2.014	2	108.0570	4.056	2	108.0570	4.056	2	108.0570	4.056	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2C)	108.2285	2.611	2	108.2285	6.819	2	108.2285	6.819	2	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6a]C[6]2)	106.5233	0.148	4	106.5233	0.022	4	106.9670	16.830	23	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6a]C[6]2)	107.2852	1.728	5	106.8207	20.505	17	106.9670	16.830	23	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6a]C[6]2)	106.7665	0.812	2	106.8207	20.505	17	106.9670	16.830	23	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6a]C[6]2)	106.5994	5.906	10	106.8207	20.505	17	106.9670	16.830	23	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(N[6]C[6a]C[6]2)	109.0975	5.648	2	109.0975	31.896	2	106.9670	16.830	23	107.0679	15.834	25	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6a]C[6]2)	106.0120	0.546	2	106.0120	0.298	2	106.0120	0.298	2	106.0120	0.298	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	H(N[6]C[6a]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6a]C[6]2)	101.8970	1.815	19	101.8970	3.296	19	101.8970	3.296	19	101.8970	3.296	19	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2H)	105.3580	1.215	2	105.3580	1.476	2	105.3580	1.476	2	105.3580	1.476	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2H)	101.6035	7.092	2	101.6035	50.290	2	101.6035	50.290	2	101.6035	50.290	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	102.2410	0.000	1	102.2410	0.000	1	102.2410	0.000	1	102.2410	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	H(N[6]C[6a]C[6]2)	105.9350	0.000	1	105.9350	0.000	1	107.6287	3.521	3	107.6287	3.521	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(N[6]C[6a]C[6]2)	108.4755	1.655	2	108.4755	2.740	2	107.6287	3.521	3	107.6287	3.521	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.3600	0.000	1	106.3600	0.000	1	106.3600	0.000	1	106.3600	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6a]C[6]2)	106.1670	3.002	2	106.1240	4.513	3	106.1240	4.513	3	106.1240	4.513	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(N[6]C[6a]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6a]C[6]2)	106.0380	0.000	1	106.1240	4.513	3	106.1240	4.513	3	106.1240	4.513	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6]2H)	110.5070	2.963	2	109.2313	11.026	4	109.2313	11.026	4	111.0180	9.266	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(N[6]C[6]2H)	107.9555	4.218	2	109.2313	11.026	4	109.2313	11.026	4	111.0180	9.266	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(N[6]C[6]2H)	113.7278	0.673	4	113.7278	0.453	4	112.2092	5.807	6	111.0180	9.266	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	H(N[6]C[6]2H)	109.1720	0.016	2	109.1720	0.000	2	112.2092	5.807	6	111.0180	9.266	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:B[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	H(N[6]B[6]C[6]H)	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(N[6]B[6]C[6]H)	108.9642	0.211	6	108.9642	0.044	6	108.9642	0.044	6	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	H(N[6]C[6]2H)	108.7875	0.015	2	110.6317	4.950	4	109.3546	3.897	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(N[6]C[6]2H)	112.4760	1.116	2	110.6317	4.950	4	109.3546	3.897	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[6]C[6]2H)	108.5032	1.367	6	108.5032	1.870	6	109.3546	3.897	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6]2H)	108.0720	5.486	2	108.0720	30.093	2	108.9555	5.186	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2H)	109.0990	0.028	4	109.0990	0.001	4	108.9555	5.186	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2H)	109.2537	2.205	4	109.2537	4.860	4	108.9555	5.186	10	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(N[6]C[6]2H)	109.1610	0.025	2	109.1610	0.001	2	109.1610	0.001	2	109.1146	3.072	28	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2H)	108.9175	0.019	2	108.9175	0.000	2	108.5304	3.070	10	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2H)	109.2348	0.057	4	109.2348	0.003	4	108.5304	3.070	10	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2H)	107.6325	2.715	4	107.6325	7.372	4	108.5304	3.070	10	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[6]2H)	108.8223	0.078	3	108.8223	0.006	3	108.8223	0.006	3	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.1015	0.005	2	109.1015	0.000	2	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2H)	108.1010	0.964	2	108.1010	0.930	2	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(N[6]C[6]2H)	111.2115	1.595	2	111.2115	2.543	2	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2H)	108.3245	2.075	2	109.0565	3.131	6	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2H)	109.4225	1.802	4	109.0565	3.131	6	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2H)	108.8675	2.266	2	108.8675	5.136	2	109.2073	2.703	14	108.9138	2.518	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	N[6]-4:	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	H(N[6]C[6]2H)	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	H(N[6]C[6]2H)	106.9615	3.652	2	106.9615	13.339	2	106.9615	13.339	2	107.2646	7.677	7	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	106.0230	5.105	2	106.0230	26.064	2	106.0230	26.064	2	107.2646	7.677	7	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	N[6]-4:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(N[6]C[6]2H)	108.2943	0.326	3	108.2943	0.106	3	108.2943	0.106	3	107.2646	7.677	7	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	H(N[6]C[6]2H)	108.3865	0.941	2	108.3865	0.886	2	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2H)	109.8400	0.000	1	109.8400	0.000	1	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2H)	108.7188	1.861	4	108.7188	3.464	4	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.5617	5.047	6	108.5617	25.474	6	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.1140	0.242	2	109.1140	0.058	2	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.3545	2.245	2	109.3545	5.040	2	108.8115	9.147	17	108.8115	9.147	17	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6]C[6]H)	108.7660	0.007	2	108.7660	0.000	2	108.7660	0.000	2	108.1540	3.126	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	H(N[6]C[6]2H)	109.1277	0.106	4	109.1277	0.011	4	109.1277	0.011	4	108.1540	3.126	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	106.8743	2.381	4	106.8743	5.669	4	106.8743	5.669	4	108.1540	3.126	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]H)	108.7705	0.407	2	108.7705	0.165	2	108.7705	0.165	2	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	H(N[6]B[6]C[6]H)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]H)	108.8820	0.098	2	108.8820	0.010	2	108.8820	0.010	2	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[3x6]C[6]H)	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[3x6]C[6]H)	108.7610	2.869	2	108.7610	8.234	2	108.7610	8.234	2	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(N[6]C[5,6]C[6]H)	107.4780	1.583	2	107.4780	2.504	2	108.5517	9.376	16	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[5,6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[5,6]C[6]H)	108.7051	3.229	14	108.7051	10.424	14	108.5517	9.376	16	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]H)	108.2685	2.344	2	108.2685	5.495	2	108.5252	1.338	6	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]H)	108.6535	0.577	4	108.6535	0.333	4	108.5252	1.338	6	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	H(N[6]C[6]2H)	108.9985	4.856	4	108.9985	23.585	4	108.9985	23.585	4	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.8775	0.056	2	108.8775	0.003	2	108.7418	3.002	74	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6]2H)	107.5658	2.931	4	107.5658	8.592	4	108.7418	3.002	74	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(N[6]C[6]2H)	108.8944	1.552	36	108.8944	2.410	36	108.7418	3.002	74	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6]2H)	108.7086	1.819	32	108.7086	3.308	32	108.7418	3.002	74	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.4430	7.324	4	108.4430	53.646	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2H)	109.0484	2.754	7	109.0484	7.586	7	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2H)	106.8295	2.945	2	108.1295	5.165	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(N[6]C[6]2H)	109.4295	0.250	2	108.1295	5.165	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	109.7972	1.837	6	108.9279	3.781	10	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(N[6]C[6]2H)	108.7780	0.024	2	108.9279	3.781	10	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(N[6]C[6]2H)	106.4700	0.704	2	108.9279	3.781	10	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.8900	1.073	2	108.8900	1.152	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.8505	0.066	2	108.8505	0.004	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(N[6]C[6]2H)	101.8895	3.230	4	101.8895	10.432	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	106.2643	2.715	4	106.2643	7.369	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(N[6]C[6]2H)	106.5035	0.199	2	106.5035	0.039	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	106.8828	2.527	4	106.8828	6.385	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(N[6]C[6]2H)	108.2520	0.000	1	108.2520	0.000	1	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	H(N[6]C[6]2H)	108.2015	2.351	2	108.2015	5.528	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(N[6]C[6]2H)	109.0050	0.054	3	109.0050	0.003	3	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.4265	2.109	4	108.9672	1.095	40	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.6025	0.521	4	108.9672	1.095	40	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.8210	0.936	30	108.9672	1.095	40	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.9705	0.011	2	108.9672	1.095	40	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	112.9365	4.172	4	112.9365	17.407	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.6570	0.041	2	108.6570	0.002	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.8535	0.842	25	108.8535	0.709	25	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(N[6]C[6]2H)	108.3570	0.072	2	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2H)	109.0419	1.728	7	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(N[6]C[6]2H)	108.8540	0.025	2	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.0770	0.010	2	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.9640	0.021	2	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.8957	1.195	72	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(N[6]C[6]2H)	109.2060	0.007	2	108.9067	1.366	89	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(N[6]C[6]2H)	109.0940	0.020	2	109.0940	0.000	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(N[6]C[6]2H)	109.0715	0.239	11	109.0715	0.057	11	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.0934	1.927	11	108.7899	1.950	49	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.4170	1.488	14	108.7899	1.950	49	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2H)	109.1242	1.106	4	108.7899	1.950	49	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.3671	0.711	20	108.7899	1.950	49	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	107.7834	1.803	12	107.7834	3.251	12	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.3975	0.325	2	109.3975	0.105	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.5888	1.329	12	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.8595	0.053	2	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2H)	107.8703	5.466	6	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	107.9310	4.997	4	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.8420	2.274	2	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(N[6]C[6]2H)	108.9890	0.129	2	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.8650	0.270	6	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2H)	109.1205	0.018	2	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	107.6475	1.742	12	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6]2H)	108.9319	1.228	18	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.0719	1.853	128	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(N[6]C[6]2H)	108.6475	0.030	2	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	109.5483	3.893	22	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(N[6]C[6]2H)	108.9425	0.091	12	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.0775	1.451	194	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.9889	1.503	194	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.5819	2.680	16	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2H)	108.8020	0.995	4	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.0072	0.688	19	109.0286	3.166	657	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.8755	0.273	6	108.8755	0.074	6	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2H)	109.1355	0.042	2	109.1355	0.002	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]2H)	107.0770	1.431	2	107.0770	2.048	2	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.3815	0.046	2	109.0337	1.207	92	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.0163	1.146	70	109.0337	1.207	92	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	107.1715	3.258	2	109.0337	1.207	92	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.2697	0.141	18	109.0337	1.207	92	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.4025	0.006	2	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.1482	0.885	70	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	110.4520	1.237	2	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.7097	0.849	4	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.3633	1.829	508	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(N[6]C[6]2H)	109.0362	1.284	5	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.2638	2.178	64	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.3634	2.236	89	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(N[6]C[6]2H)	109.3705	2.510	2	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.7434	2.193	28	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.3064	2.617	1529	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.7082	1.832	4	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.3793	0.119	6	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.2615	0.017	4	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.0931	0.088	7	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.6008	0.035	4	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.0414	1.555	29	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.2380	0.047	2	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.2630	1.605	160	109.3040	5.405	2519	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.4496	1.757	456	109.4438	3.037	464	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.4380	0.021	2	109.4438	3.037	464	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|O<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.0040	0.306	6	109.4438	3.037	464	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.6308	0.096	17	108.6308	0.009	17	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2H)	106.7120	2.921	4	106.7120	8.530	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.3320	0.346	4	108.3320	0.120	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.4055	0.206	2	107.7682	1.823	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	107.1310	1.950	2	107.7682	1.823	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.1483	0.110	4	109.1483	0.012	4	109.2177	4.547	4060	109.2049	4.545	4166	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(N[6]C[6,6]C[6]H)	108.7575	2.245	2	108.7575	5.040	2	109.1425	4.570	4	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	N[6]-4:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	H(N[6]C[6,6]C[6]H)	109.5275	2.842	2	109.5275	8.076	2	109.1425	4.570	4	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2H)	108.8850	0.027	2	108.8850	0.001	2	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	H(N[6]C[6]2H)	109.0500	0.008	4	109.0500	0.000	4	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.6390	0.035	2	108.6988	0.395	6	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.7287	0.809	4	108.6988	0.395	6	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	H(N[6]C[6]2H)	109.8710	0.000	1	109.8710	0.000	1	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	110.3125	0.103	2	110.3125	0.011	2	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.3083	5.053	4	108.2645	16.072	6	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.1770	1.933	2	108.2645	16.072	6	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2H)	109.6805	0.336	2	109.6805	0.113	2	108.9394	4.152	23	108.9695	4.045	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(N[6]C[6,6]C[6]H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(N[6]C[6,6]C[6]H)	107.5000	0.663	2	107.5000	0.440	2	107.5000	0.440	2	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	H(N[6]C[6]2H)	110.8955	1.708	4	110.8955	2.918	4	110.8955	2.918	4	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2H)	108.7680	0.076	4	108.7680	0.006	4	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(N[6]C[6]2H)	109.0055	0.033	4	109.0055	0.001	4	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	H(N[6]C[6]2H)	108.9840	0.027	2	108.9840	0.001	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.9810	0.362	2	108.9810	0.131	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.2667	1.761	6	109.2667	3.100	6	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.9054	1.788	14	108.9054	3.197	14	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.8398	0.083	6	108.8398	0.007	6	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.9333	0.045	4	108.9333	0.002	4	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	108.6775	0.528	4	106.9525	10.041	6	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	103.5025	3.696	2	106.9525	10.041	6	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2H)	109.1230	0.498	2	109.1230	0.248	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	H(N[6]C[6]2H)	109.9830	1.478	2	109.9830	2.184	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.1695	0.430	25	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.3331	3.687	8	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.1105	0.033	2	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	108.8800	0.017	2	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.6678	1.493	70	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.0215	0.016	2	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.1640	0.024	2	108.7838	2.366	111	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.0835	0.228	4	108.8506	12.564	12	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.7341	4.436	8	108.8506	12.564	12	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6]2H)	109.2385	1.694	2	107.6387	8.501	16	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	107.7170	1.008	2	107.6387	8.501	16	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	107.3590	3.269	12	107.6387	8.501	16	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.0345	0.266	4	109.0345	0.071	4	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[6]2H)	110.3900	1.952	2	110.3900	3.809	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2H)	109.8031	4.032	20	109.4667	7.674	46	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2H)	108.9788	0.154	22	109.4667	7.674	46	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(N[6]C[6]2H)	110.4675	2.855	4	109.4667	7.674	46	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	H(N[6]C[6]2H)	107.1665	2.457	2	107.1665	6.038	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2H)	109.0990	0.020	2	109.0990	0.000	2	108.8435	4.345	247	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:P-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.0645	0.049	2	109.0645	0.002	2	109.1080	0.059	14	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:P-4:H-1:	N[6]-4:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	H(N[6]C[6]2H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2H)	109.1153	0.264	12	109.1153	0.069	12	109.1080	0.059	14	108.8780	4.136	267	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:C-4:	N[6]-4:	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	H(N[6]C[6]2H)	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	H(N[6]C[6]2H)	110.2455	0.479	2	110.2455	0.229	2	110.2455	0.229	2	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	H(N[6]C[6]2H)	108.2130	0.035	2	108.2130	0.001	2	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2H)	107.1340	2.168	2	107.1340	4.700	2	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	H(N[6]C[6]2H)	109.3435	1.952	2	109.3435	3.812	2	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	H(N[6]C[6]2H)	107.2556	2.174	18	107.2226	3.912	109	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(N[6]C[6]2H)	107.2696	1.661	8	107.2226	3.912	109	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	H(N[6]C[6]2H)	106.9008	1.851	12	107.2226	3.912	109	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(N[6]C[6]2H)	107.2709	2.519	14	107.2226	3.912	109	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(N[6]C[6]2H)	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2H)	107.2615	1.896	57	107.2226	3.912	109	107.2752	3.874	115	107.3260	3.959	117	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	H(N[6]C[6]2O)	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2O)	109.1855	0.380	2	109.1855	0.144	2	109.1855	0.144	2	109.1855	0.144	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OAl)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OAl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	105.7690	0.000	1	105.7690	0.000	1	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	105.9875	2.659	6	105.9875	7.071	6	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	109.0535	0.009	2	109.0535	0.000	2	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OFe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	103.9505	2.327	4	103.9505	5.415	4	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	105.1250	0.458	2	105.1250	0.210	2	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OIr)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OIr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	106.5870	0.000	1	106.5870	0.000	1	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(ONi)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(ONi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	104.9365	1.103	12	104.9365	1.216	12	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(OP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(N[6]C[6]2O)	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2O)	108.7525	0.013	2	108.7525	0.000	2	105.6394	4.393	30	105.6394	4.393	30	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:In[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	H(N[6]In[6]C[6]2)	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.9605	1.320	2	106.9605	1.743	2	106.9605	1.743	2	106.9605	1.743	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(CCC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	102.0835	2.547	8	102.0835	6.489	8	102.0835	6.489	8	102.0835	6.489	8	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	H(N[6]C[6]2C)	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	H(N[6]C[5]C[6]2)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(N[6]C[5]C[6]2)	103.7590	0.000	1	103.7590	0.000	1	103.7590	0.000	1	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2C)	108.0940	0.000	1	108.0940	0.000	1	108.4200	0.213	2	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(N[6]C[6]2C)	108.7460	0.000	1	108.7460	0.000	1	108.4200	0.213	2	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2C)	103.2830	0.000	1	103.2830	0.000	1	104.6210	4.325	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2C)	107.0170	0.000	1	107.0170	0.000	1	104.6210	4.325	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2C)	103.5630	0.000	1	103.5630	0.000	1	104.6210	4.325	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2C)	103.1850	0.000	1	103.1850	0.000	1	103.1850	0.000	1	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	H(N[6]In[6]C[6]2)	106.4050	0.000	1	106.8165	0.339	2	107.1740	0.553	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(N[6]In[6]C[6]2)	107.2280	0.000	1	106.8165	0.339	2	107.1740	0.553	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]In[6]C[6]2)	107.8890	0.000	1	107.8890	0.000	1	107.1740	0.553	3	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	H(N[6]Ga[6,6]C[6]C)	105.4370	6.160	2	105.4370	37.949	2	105.4370	37.949	2	105.9428	7.040	13	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2C)	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	N[6]-4:	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	H(N[6]C[6]3)	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]3)	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	110.7900	0.000	1	110.7900	0.000	1	107.8784	7.727	7	107.1972	7.379	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2C)	108.1030	0.018	2	108.1030	0.000	2	107.8784	7.727	7	107.1972	7.379	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2C)	107.0383	3.414	4	107.0383	11.653	4	107.8784	7.727	7	107.1972	7.379	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]N[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	H(N[6]C[6]2C)	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(N[6]C[6]2C)	106.8135	0.708	2	106.8135	0.501	2	106.8135	0.501	2	107.1972	7.379	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	H(N[6]C[6]2S)	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2S)	103.1960	0.000	1	103.1960	0.000	1	103.1960	0.000	1	107.1972	7.379	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	H(N[6]C[6]2C)	105.7130	0.000	1	105.7130	0.000	1	106.5675	1.460	2	106.5675	1.460	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	H(N[6]C[6]2C)	107.4220	0.000	1	107.4220	0.000	1	106.5675	1.460	2	106.5675	1.460	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	H(N[6]B[5,6]C[6]C)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(N[6]B[5,6]C[6]C)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	H(N[6]B[6,6]C[6]C)	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(N[6]B[6,6]C[6]C)	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:P-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	H(N[6]B[6,6]C[6]P)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	H(N[6]B[6,6]C[6]P)	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]B[6]C[6]C)	103.2870	0.000	1	103.2870	0.000	1	106.9117	11.004	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]B[6]C[6]C)	104.9540	0.000	1	104.9540	0.000	1	106.9117	11.004	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(N[6]B[6]C[6]C)	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(N[6]B[6]C[6]C)	109.7030	0.677	2	109.7030	0.459	2	106.9117	11.004	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[3,6]C[6]2)	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(N[6]C[3,6]C[6]2)	106.4180	3.288	2	106.4180	10.811	2	106.5755	3.839	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[3,6]C[6]2)	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>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(N[6]C[3,6]C[6]2)	106.7330	0.779	2	106.7330	0.607	2	106.5755	3.839	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[3]C[6]2)	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(N[6]C[3]C[6]2)	106.5990	3.108	4	106.5990	9.660	4	106.5990	9.660	4	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	H(N[6]C[5,6,6]C[6]C)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(N[6]C[5,6,6]C[6]C)	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[5]C[6]2)	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[5]C[6]2)	106.7885	0.013	2	106.7885	0.000	2	106.8678	8.041	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(N[6]C[5]C[6]2)	107.6945	0.711	2	107.6945	0.505	2	106.8678	8.041	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[6]C[5]C[6]2)	106.3357	4.050	6	106.6809	12.326	8	106.8678	8.041	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(N[6]C[5]C[6]2)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(N[6]C[5]C[6]2)	107.7165	1.180	2	106.6809	12.326	8	106.8678	8.041	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	110.8490	0.000	1	110.8490	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	105.2940	0.756	4	105.2940	0.572	4	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	104.8875	1.406	2	106.2233	6.342	3	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6]C)	108.8950	0.000	1	106.2233	6.342	3	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	108.8500	2.443	8	108.8500	5.968	8	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	108.8840	0.000	1	108.8840	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	107.5840	0.000	1	107.5840	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	104.2080	0.000	1	104.2080	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	106.7830	0.068	3	106.7830	0.005	3	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6]C)	110.8610	0.000	1	110.8610	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6]C[6]C)	107.0950	0.000	1	107.0950	0.000	1	107.5198	5.743	24	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]C)	103.6640	0.255	2	103.6640	0.065	2	105.4060	14.060	6	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]C)	108.4970	0.000	1	108.4970	0.000	1	105.4060	14.060	6	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]C)	99.5598	0.000	1	99.5598	0.000	1	105.4060	14.060	6	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6,6]C[6]C)	109.2230	0.000	1	109.2230	0.000	1	105.4060	14.060	6	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]C)	107.8280	0.000	1	107.8280	0.000	1	105.4060	14.060	6	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(N[6]C[6,6]C[6]2)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]2)	107.5645	0.139	2	107.5645	0.019	2	107.5645	0.019	2	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	H(N[6]C[5]C[6]2)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[5]C[6]2)	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(N[6]C[6]2B)	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2B)	105.8812	0.114	8	105.8812	0.013	8	106.4149	0.630	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(BH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(N[6]C[6]2B)	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2B)	107.4822	0.040	4	107.4822	0.002	4	106.4149	0.630	12	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6]2C)	105.9975	2.269	2	105.9975	5.149	2	105.9975	5.149	2	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.7150	0.127	2	106.7150	0.016	2	107.1139	3.766	8	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(N[6]C[6]2C)	111.5250	0.000	1	111.5250	0.000	1	107.1139	3.766	8	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.6190	0.000	1	107.6190	0.000	1	107.1139	3.766	8	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(N[6]C[6]2C)	105.9785	1.408	2	105.9785	1.982	2	107.1139	3.766	8	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.1900	0.215	2	106.1900	0.046	2	107.1139	3.766	8	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(N[6]C[6]2C)	105.1010	0.000	1	105.1010	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6]2C)	109.7570	0.000	1	109.7570	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2C)	108.1390	0.000	1	108.1390	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(N[6]C[6]2C)	103.6500	0.000	1	103.6500	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.5580	0.000	1	107.5580	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.2290	0.000	1	107.2290	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2C)	110.3350	0.000	1	110.3350	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2C)	105.4700	0.000	1	105.4700	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2C)	113.0550	0.000	1	113.0550	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	104.8240	0.000	1	104.8240	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.1690	0.000	1	106.1690	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(N[6]C[6]2C)	106.1420	0.000	1	106.1420	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	107.8420	0.000	1	107.8420	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CBHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.3975	1.339	2	107.3975	1.792	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.4350	0.000	1	106.4350	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6]2C)	106.4150	0.000	1	106.4150	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	109.4105	1.234	2	109.4105	1.523	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.4530	0.000	1	106.4530	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(N[6]C[6]2C)	104.4660	0.000	1	104.4660	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6]2C)	104.5010	0.000	1	107.4433	8.528	113	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6]2C)	107.3735	3.841	46	107.4433	8.528	113	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.5201	0.950	8	107.4433	8.528	113	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[6]2C)	107.7130	2.484	9	107.4433	8.528	113	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.5068	2.169	49	107.4433	8.528	113	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2C)	107.8260	0.000	1	107.8260	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.8400	0.000	1	108.3887	15.805	3	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	108.6630	5.582	2	108.3887	15.805	3	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.8060	0.000	1	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.6930	0.000	1	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.9814	1.562	78	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.7708	3.731	30	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	105.4290	6.317	2	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.9407	4.432	30	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.7490	0.742	2	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	108.1725	1.819	60	107.8191	7.105	204	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.8140	0.000	1	107.9611	2.387	58	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.9637	1.559	57	107.9611	2.387	58	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.9925	2.102	2	107.9925	4.419	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.1830	0.112	2	108.1830	0.012	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.2168	6.587	4	107.2168	43.395	4	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.6147	10.833	14	108.6147	117.343	14	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	105.8254	2.790	8	105.8254	7.786	8	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.4063	4.177	10	107.4063	17.450	10	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.3425	0.327	2	106.3425	0.107	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.4285	0.005	2	108.5733	1.441	11	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	108.6054	1.340	9	108.5733	1.441	11	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	102.3680	0.000	1	105.1452	2.449	5	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	105.8395	0.226	4	105.1452	2.449	5	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6]2C)	110.0400	0.000	1	110.0400	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2C)	115.0890	0.000	1	115.0890	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.1100	0.000	1	108.1100	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	112.1610	0.000	1	112.1610	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.8170	0.000	1	107.8170	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.8787	3.631	30	107.9438	11.335	38	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	108.7475	2.267	6	107.9438	11.335	38	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	105.2160	0.000	1	107.9438	11.335	38	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.8030	0.000	1	107.9438	11.335	38	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.0460	0.528	2	107.7462	4.516	20	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[6]2C)	107.5400	1.215	2	107.7462	4.516	20	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.6629	2.019	8	107.7462	4.516	20	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.8070	1.554	2	107.7462	4.516	20	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.8058	3.248	6	107.7462	4.516	20	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.4835	1.871	36	107.4835	3.500	36	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.7125	3.106	2	107.2787	5.786	3	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	108.4110	0.000	1	107.2787	5.786	3	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.6153	0.275	4	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	108.7188	2.165	6	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.8901	3.005	19	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.7349	0.493	10	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	110.0360	2.301	2	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	109.1950	0.000	1	107.6262	5.496	42	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2C)	108.9040	1.751	6	108.9040	3.066	6	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	111.4030	0.000	1	111.4030	0.000	1	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.0068	1.529	6	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.6970	0.000	1	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.0975	2.119	70	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(N[6]C[6]2C)	108.9615	2.765	4	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(N[6]C[6]2C)	107.9675	0.019	2	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.9310	1.735	18	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.9261	2.736	51	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.9545	0.008	2	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	108.0526	2.185	63	108.0348	4.963	217	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	107.6312	3.441	12	107.6312	11.841	12	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.6975	3.281	4	107.6975	10.766	4	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(N[6]C[6]2C)	107.1917	1.003	7	107.1917	1.007	7	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.9925	0.722	2	106.9925	0.521	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CHPP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.9765	7.865	2	106.9765	61.861	2	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2C)	108.4580	2.659	6	108.4580	7.072	6	107.7999	8.180	859	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:P[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	H(N[6]C[6]2C)	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(N[6]C[6]3)	105.7365	0.345	4	105.9260	5.426	8	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(N[6]C[6]3)	105.3865	5.823	2	105.9260	5.426	8	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(N[6]C[6]3)	106.8445	1.143	2	105.9260	5.426	8	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	H(N[6]C[6]3)	109.9110	3.714	2	108.4075	8.695	4	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(N[6]C[6]3)	106.9040	1.803	2	108.4075	8.695	4	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(N[6]C[6]3)	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6]3)	106.2540	0.004	2	106.2540	0.000	2	106.6819	6.224	14	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Ga-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(GaCl3)(H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	H(N[6]C[6]2Ga)	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(N[6]C[6]2Ga)	107.2955	2.652	2	107.2955	7.035	2	107.2955	7.035	2	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	H(N[6]C[6]2S)	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	H(N[6]C[6]2S)	103.2260	0.000	1	103.2260	0.000	1	103.2260	0.000	1	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	Ga[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	H(N[6]Ga[6]C[6]C)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(N[6]Ga[6]C[6]C)	106.6345	1.411	2	106.6345	1.990	2	106.6345	1.990	2	107.7101	7.988	962	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-2:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(N[6]C[6]2C)	105.0520	0.000	1	105.0520	0.000	1	105.0520	0.000	1	105.0520	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	N[6]-4:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	H(N[6]C[6]2C)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	H(N[6]C[6]2C)	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	H(N[6]C[6]2C)	104.0880	0.000	1	104.0880	0.000	1	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.6650	0.088	2	106.6650	0.008	2	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	H(N[6]C[6]2C)	107.2770	0.000	1	107.2770	0.000	1	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2C)	107.8990	0.000	1	107.8990	0.000	1	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	106.5370	0.049	2	106.5370	0.002	2	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2C)	105.6335	0.012	2	105.6335	0.000	2	106.3261	1.209	9	106.3769	1.101	10	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(N[6]C[6,6]C[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6]C)	105.3980	0.000	1	105.3980	0.000	1	105.3980	0.000	1	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	H(N[6]C[6]2B)	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2B)	103.4910	4.639	2	103.4910	21.517	2	103.4910	21.517	2	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	H(N[6]C[6]2C)	107.0180	0.000	1	107.0180	0.000	1	107.5590	0.585	2	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.1000	0.000	1	108.1000	0.000	1	107.5590	0.585	2	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(N[6]C[6]2C)	107.9890	0.000	1	107.9890	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.7610	0.000	1	106.7610	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2C)	108.7420	0.000	1	108.7420	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2C)	106.2070	0.000	1	106.2070	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(N[6]C[6]2C)	106.1350	0.000	1	106.1350	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	H(N[6]C[6]2C)	110.9670	0.000	1	110.9670	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2C)	101.5920	0.000	1	101.5920	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2C)	105.0430	0.000	1	105.0430	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	H(N[6]C[6]2C)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2C)	104.7440	0.000	1	104.7440	0.000	1	106.4644	7.096	9	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	H(N[6]C[6]3)	103.6920	0.000	1	103.6920	0.000	1	106.5882	5.071	6	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(N[6]C[6]3)	105.7095	0.511	2	105.7095	0.261	2	106.5882	5.071	6	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(N[6]C[6]3)	106.6170	0.000	1	108.1393	3.972	3	106.5882	5.071	6	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(N[6]C[6]3)	107.4060	0.000	1	108.1393	3.972	3	106.5882	5.071	6	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(N[6]C[6]3)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	H(N[6]C[6]3)	110.3950	0.000	1	108.1393	3.972	3	106.5882	5.071	6	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	H(N[6]In[6]C[6]2)	103.7360	0.000	1	105.3685	5.330	2	106.1117	4.322	3	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(N[6]In[6]C[6]2)	107.0010	0.000	1	105.3685	5.330	2	106.1117	4.322	3	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(N[6]In[6]C[6]2)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(N[6]In[6]C[6]2)	107.5980	0.000	1	107.5980	0.000	1	106.1117	4.322	3	106.2410	6.064	23	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2C)	105.7140	0.000	1	105.7140	0.000	1	103.2481	1.782	27	103.2481	1.782	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	103.2260	0.966	12	103.2260	0.932	12	103.2481	1.782	27	103.2481	1.782	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	101.9970	1.293	2	101.9970	1.671	2	103.2481	1.782	27	103.2481	1.782	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	103.7012	1.580	6	103.7012	2.497	6	103.2481	1.782	27	103.2481	1.782	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(N[6]C[6]2C)	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2C)	102.8455	1.450	6	102.8455	2.102	6	103.2481	1.782	27	103.2481	1.782	27	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	4:4:5:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Si-5:H-1:	N[6]-4:C[6]-4:C-4:C-4:	N[6]-4:	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H)	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	H(N[6]C[6]2Si)	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(N[6]C[6]2Si)	100.3175	0.084	2	100.3175	0.007	2	100.3175	0.007	2	100.3175	0.007	2	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	5:4:3:1:	3:4:1:1:	4:	In[6]-5:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(N[6]In[6]C[6]2)	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	H(N[6]In[6]C[6]2)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	5:4:4:1:	3:4:1:1:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	H(N[6]Ga[6,6]C[6]C)	107.6690	2.482	2	107.6690	6.160	2	107.6690	6.160	2	107.1333	3.941	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	5:4:4:1:	3:4:1:1:	4:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6]-4:	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	H(N[6]In[4,6]C[6]2)	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	H(N[6]In[4,6]C[6]2)	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	107.1333	3.941	3	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	5:4:4:1:	3:4:2:1:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:O-2:H-1:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	H(N[6]Ga[6,6]C[6]C)	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684
854	466	951	0:SP3_SP-NON_SP3	N[6]	C[6]	H	5:4:4:1:	4:4:4:1:	4:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(N[6]In[4,6]C[6]2)	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	H(N[6]In[4,6]C[6]2)	106.1200	0.000	1	106.1200	0.000	1	106.1200	0.000	1	106.1200	0.000	1	108.7666	6.019	5846	108.7940	6.148	7684